Advances in physical organic chemistry vol 41

Editor’s preface
Volume 41-Advances in Physical Organic Chemistry
The capacity for chemists to work and make progress has arguably remained constant through the years. However, the scope of the research programs of individual
chemists is in general contracting in comparison to the rapidly expanding field of
chemistry. At the same time, our work is becoming increasingly focused on making
progress in well-developed areas of research, and on intractable problems that have
escaped solution over the years. All of this has been accompanied by an increase in
the linkage between the seemingly diverse research projects that we study. Physical
organic chemistry suffers when the research of its proponents becomes overly focused and of restricted interest. The health of the field requires an awareness of the
links between research on seemingly unrelated problems, and the fostering of interactions between chemists with related interests in structure, kinetics and mechanism. The chapters in this volume represent the great diversity of interests of their
authors, which range from organic, inorganic and organometallic reaction mechanisms, to the mechanism for enzyme catalysis. This willingness of these authors to
contribute to this monograph reflects well on the breadth of physical organic chemistry. This editor has great admiration for readers with the capacity he lacks of easily
grasping all of the concepts presented in these chapters. He does hope that each of
these chapters has something to offer to all of our readers.
John P. Richard
University at Buffalo

ix


Contributors to Volume 41
Lisa Berreau Department of Chemistry and Biochemistry, Utah State University,
0300 Old Main Hill, Logan, UT 84322-0300, USA
Rudi van Eldik Institut fu¨r Anorganische Chemie, Universita¨t Erlangen-Nu¨rnberg, Egerlandstraße 1, D-91058 Erlangen, Germany
Nicole Horenstein Department of Chemistry, University of Florida, Gainesville,
Florida, 32611-7200, USA
Colin Hubbard Institut fu¨r Anorganische Chemie, Universita¨t Erlangen-Nu¨rnberg, Egerlandstraße 1, D-91058 Erlangen, Germany
Steve Nelsen Department of Chemistry, University of Wisconsin, Madison,
Wisconsin, 53706-1396, USA
Stephen F. Schwartz Department of Biophysics and Biochemistry, Albert
Einstein College of Medicine, USA

Ken Westaway Department of Chemistry, Laurentian University, Sudbury,
Ontario P3E 2C6, Canada

xi


AUTHOR INDEX
Abe, K.-J. 155
Abolfath, M.R. 323
Abu-Gharib, E.A. 43
Ackermann, J. 126
Adam, W. 307
Adams, H. 11
Adamus, J. 189–190
Adolph, H.W. 93, 112
Aebischer, N. 25
Agarwal, P.K. 92
Agmon, N. 316
Aida, M. 267
Aime, S. 23
Ait-Haddou, H. 173
Aizawa, S. 11
Aka, F.N. 173
Akeson, A. 92
Akitt, J.W. 16
Akkaya, E.U. 107, 111, 137, 173
Akkaya, M.S. 173
Aksamawati, M. 100
Alberto, R. 26, 44
Albery, W.J. 240

Alcock, N.W. 55
Ali, S.F. 219, 244, 246–247, 251–252
Allan, C.B. 198
Allen, G.C. 183
Almerindo, G.I. 266
Almo, S.C. 336
Al-Rifai, R. 241
Alsfasser, R. 89, 95
Alshehri, S. 8, 27
Alzari, P. 289
Alzari, P.M. 289
Alzoubi, B.M. 32
Amadei, A. 349
Amaya, M.F. 289
Amaya, M.L. 289
Amicosante, G. 112
Amyes, T.L. 278–279, 281–282, 287, 292,
305

Ando, T. 228, 246
Andres, J. 217, 270
Andrews, C.W. 299–300, 308
Andrews, T. 295, 297
Anslyn, E.V. 79, 168, 173, 278
Antoniou, D. 315, 322–323, 326, 335–336,
340, 349
Antony, J. 116
Arca, M. 163
Arif, A.M. 49, 98, 133
Arkle, V. 14

Armbruster, T. 24
Arrhenius, S. 2
Asano, F. 38
Asano, T. 2–3, 23
Ashan, M. 246
Ashwell, M. 288, 290, 293
Atwood, J.D. 5
Aubert, S.D. 137
Auld, D.S. 82
Axelsson, B.S. 225, 228, 244, 259, 263–264
Ayala, L. 301
Bain, A.D. 284–285, 311
Bakac´, A. 55
Baker, G.R. 61
Bakker, M.J. 65
Bal Reddy, K. 63
Balny, C. 11
Banait, N.S. 283, 285, 305
Banaszczyk, M. 134, 137
Baron, L.A. 102
Bartolucci, S. 326
Barton, J.K. 173
Basallote, M.G. 128
Bashkin, J.K. 80
Basile, L.A. 173
Basilevsky, M.V. 3, 23
Basner, J. 315
Basner, J.E. 333, 343
Basolo, F. 26–27, 45
363

364
Basran, J. 317
Bateson, J.H. 112
Bauer, R. 112, 116
Bauer-Siebenlist, B. 124–125, 127, 158, 160
Bazzicalupi, C. 110–111, 150–151, 154
Beau, J. 290
Becalski, A. 295, 297
Becker, H. 12
Becker, M. 40
Becker, O. 356–357
Bell, R.P. 318
Bellus, D. 68
Bencini, A. 110–111, 150–151, 154, 163
Bender, M.L. 228
Benderskii, V. 321
Benedek, G.B. 17
Benkovic, S. 354
Benkovic, S.J. 112, 116, 122–123
Bennet, A.J. 276, 282, 284–288, 290,
293–294, 305, 311
Bennett, B. 129
Benning, M.M. 137
Benson, S.W. 5
Bercaw, J.E. 49, 52
Berces, A. 308–309
Berendsen, H.J.C. 349
Berg, J.M. 79–80

Berg, U. 228
Bergbauer, R. 11
Berger, D. 138
Bergquist, C. 89, 95–97
Bergsma, J.P. 325
Bernasconi, C.F. 12
Berne, B.J. 319
Bernhard, P. 23
Berni, E. 150–151, 154, 163
Berreau, L.M. 79, 98, 133
Berry, R.S. 356, 358
Berti, P.J. 276, 279, 284–285, 311
Bertini, I. 83
Bertozzi, C.R. 276
Bertran, J. 217, 270
Best, M.D. 168
Bezold, L.M. 98
Bianchi, A. 110–111, 150–151, 154
Bierbaum, V.M. 240–241, 266, 270
Bigeleisen, J. 218
Bin Ali, R. 27, 43
Birmingham, J.M. 27

AUTHOR INDEX
Bixon, M. 187, 196, 201, 203, 210
Blackstock, S.C. 188, 190, 203–204
Blandamer, M.J. 3, 7, 43, 246
Blazejowski, J. 303
Blomgren, F. 198, 210
Bochicchio, R.C. 220, 227

Bode, W. 102
Boerzel, H. 95, 99
Boese, W.T. 66
Bogdanov, B. 265
Bogin, O. 94
Bohm, M. 276
Boiwe, T. 92
Bolhuis, P. 342
Bols, M. 296, 298–299
Bommuswamy, J. 285
Bonfa, L. 144
Bonnington, K.J. 11
Borchardt, R.T. 228, 267, 269
Borgford, T.J. 288, 293
Borgis, D. 320
Borkovec, M. 319–320
Boseggia, E. 173
Botta, M. 23
Bowen, J.P. 300
Boxer, S.G. 198
Boyd, R.J. 270
Branden, C.-I. 92
Breslow, R. 80, 102, 111, 136, 138, 149
Bu¨rgi, H.-B. 23–24
Bridgewater, B.M. 95–97
Brindell, M. 14
Brombacher, H. 95–97
Brooks, C. 354–355
Brooks, C.L. 354
Brothers, E.N. 116

Brower, K.R. 12
Brown, P. 30
Brown, R.S. 87, 133, 150
Brown, T.L. 43
Broxterman, Q.B. 173
Bruice, T.C. 328
Bruner, M. 288–294
Brunschwig, B.S. 50–51, 186, 198
Bu, W. 95, 99
Bublitz, G.U. 198
Buchalova, M. 55
Buchanan, J.G. 307
Bucior, I. 276


AUTHOR INDEX
Buckingham, D.A. 102
Buckley, N. 310
Buddenbaum, W.E. 264
Bugnon, P. 11
Buist, G.J. 228
Bull, H.G. 277, 281
Burger, M.M. 276
Burgess, J. 5, 7–8, 16, 27–28, 30, 43
Burkinshaw, P.M. 43
Burlingame, A.L. 310
Burstein, Y. 94
Burstyn, J.N. 103–104
Busch, D.H. 55
Buschiazzo, A. 289

Bush, K. 112
Cacciapaglia, R. 133, 163–164
Caldin, E.F. 11–12, 17
Caldwell, S.R. 137
Callahan, R.W. 55
Caltagirone, C. 163
Calvert, J.G. 197
Cannio, R. 326
Canty, A.J. 52
Capon, B. 277, 281, 295
Caratzoulas, S. 325, 328
Carcabal, P. 275, 311
Carloni, P. 100, 116
Carlsson, H. 161
Carlsson, M. 83
Casey, A.T. 27
Casnati, A. 133, 163–164
Cave, R.J. 197
Cayemittes, S. 26, 40, 44
Ceccarelli, E.A. 112
Cedergren-Zeppezauer, E.S. 93
Centerick, F. 12
Chako, N.Q. 197
Chamberland, S. 301
Chambers, R.R. 103
Chandler, D. 342
Chandrasekera, N.S. 308
Chang, H. 189–190
Chang, S. 81, 107–108, 110, 143
Chapman, W.H. 136, 149

Charlton, M.H. 307
Chen, G. 128
Chen, J. 162

365
Chen, L. 110–111
Chen, L.-J. 191
Chen, P. 200
Chen, W. 111
Chen, Y. 110–111
Cheung, W. 137
Chiarelli, R. 198
Chin, J. 80, 103, 134, 137
Chopra, S.K. 30
Chou, D.T.H. 288, 293
Christianson, D.W. 83–84, 88, 100
Christoph, G.G. 55
Chu, F. 168, 173
Chung, Y.S. 137
Clark, T. 23, 211
Clegg, R.M. 12
Cleland, W.W. 134
Clennan, E.L. 200
Clewley, R.G. 150
Closs, G.L. 209
Cocho, J.L. 87
Cohen, D. 30
Cohen, H. 67–68
Coleman, J.E. 133
Concha, N.O. 112

Connick, R.E. 17
Connolly, J.A. 134
Conze, E.G. 14
Cookson, R.C. 30
Copeland, K.D. 173
Corana, F. 110–111
Cordes, E.H. 277, 281
Cornelius, R.D. 134
Corvol, P. 129
Cotton, S. 24
Coventry, D.N. 11
Covey, W.D. 43
Cowan, D.O. 184
Coward, J.K. 228, 267, 269
Cox, J.D. 83–84, 88
Creutz, C. 51, 183, 185–186, 198
Cricco, J.A. 112
Crich, D. 308
Crumpton-Bregel, D.M. 54
Csajka, F. 342
Cuesta-Seijo, J.A. 124–125, 158
Cui, Q. 330
Curtis, N.J. 87
Czapski, G. 67–68


366
Czarnik, A.W. 137
Czerlinski, G. 12
Dadci, L. 24, 26, 39

Dahan, N. 11
Dahlenberg, L. 47
Dal Peraro, M. 116
Damager, I. 289
Damager, T. 289
Dandaccio, L. 38
Dang, S.-Q. 51
Danielsson, R. 228, 250, 262, 266, 270
Davico, G.E. 240–241, 266, 270
Davies, G.J. 276
Day, P. 183
Du¨cker-Benfer, C. 36, 38, 49, 64
de Groot, B.L. 349
de Rosales, R.T.M. 149
Dechert, S. 124–125, 127, 160
Dedieu, A. 51–52
Dellago, C. 342
Demadis, K.D. 184
Denekamp, C. 310
Denning, R.G. 198
DePuy, C.H. 240–241
Derr, D.L. 187
Derunov, V.V. 28
Deslongchamps, P. 278, 296, 300
Despa, F. 358
Devillanova, F.A. 163
deVito, D. 23
Diaz, N. 116
DiBenedetto, J. 14
Diez, A. 26

Dinjus, E. 119
diTargiani, R.C. 81, 107–108, 110, 143
Dittler-Klingemann, A.M. 23
Dodgen, H. 51
Doludda, M. 11
Dookhun, V. 294
Dorland, L. 290
Dory, Y.L. 278, 296, 300
Doss, R. 12
Dowd, W. 261
Dreos, R. 38
Dreos-Gariatti, R. 38
Drickamer, H.G. 14
Drljaca, A. 3, 23

AUTHOR INDEX
D’souza, V.M. 128
Dube, D.H. 276
Ducommun, Y. 11–12, 14
Duffield, A.J. 28
Dumas, D.P. 137
Dunn, M.F. 94
Dvolaitzky, M. 198
Dybala-Defratyka, A. 220, 222–224,
227–229, 250, 262–266, 269–270
Dyson, H. 354
Ealick, S.E. 350
Echizen, T. 92
Eckert, C.A. 3
Eckert, F. 223, 230, 263

Edwards, T. 128–129
Eigen, M. 12, 17
Eklund, H. 92, 95
Eldik, R.v. 1
Elding, L.I. 11
Elias, H. 24, 26, 29, 39–40, 43
Elliott, C.M. 187
Elmer, T. 168, 170
Emery, D.C. 112
Engbersen, J.F.J. 111, 163–165, 173
Eriksson, J. 224, 228, 250, 262, 266, 270
Erion, M.D. 350
Espenson, J.H. 5, 55
Evans, D. 359
Evans, D.W. 61
Evans, M.G. 2
Eyring, H. 2, 5
Fabiane, S.M. 112
Fairlie, D.P. 119
Fang, Y. 224, 228, 244, 250, 253, 259,
262–264, 266, 270
Fang, Y-R. 219, 256–257, 259
Farid, S. 196–197
Farkas, E. 124–125, 158, 160
Farrant, G.C. 30
Fast, W. 112, 116, 122–123
Fawcett, J. 7
Fa´bia´n, I. 23
Fedi, V. 150–151
Fedorov, A. 336

Fedorov, E. 336
Fekl, U. 49, 52


AUTHOR INDEX
Felluga, F. 173
Femec, D.A. 269
Feng, G. 149
Fernandez, A. 358
Fernandez Bolanos, J.G. 298
Fernandez, M.J. 40
Ferrer, E.G. 119
Ferry, J.G. 83–84
Fetterolf, M.L. 14
Fichthorn, K. 358
Fierke, C.A. 83–84, 110–111
Fillebeen, T. 89
Fischer, H. 57
Fisher, J.F. 112
Fisher, R.D. 250, 261
Fitch, S.B. 98
Fitzsimons, M.P. 173
Flechtner, H. 26
Fleischmann, F.K. 14
Fleming, R.H. 134, 137
Folmer-Andersen, J.F. 173
Forconi, M. 134, 137
Ford, P.C. 14–15, 66
Formaggio, F. 173
Fornasari, P. 150, 154

Fort, A. 198
Frakman, Z. 87
Franceschini, N. 112
Frasch, A.C. 289
Fraser-Reid, B. 278, 299, 308
Frauenfelder, H. 357
Freiberg, M. 68
Frenkel, A. 94
Frere, J.M. 112
Frey, U. 24, 26, 39, 44
Friesner, R.A. 95–97
Frigo, T.B. 188, 190
Fry, A. 244–245, 259
Fu, Y. 16
Fuji, H. 52
Fujii, Y. 143–144, 146
Fujita, E. 50–51
Funahashi, S. 11, 17
Funahashi, Y. 91
Fung, Y. 232, 242, 245–246, 253,
259
Furenlid, L.R. 51
Furneaux, R.H. 336
Fusi, V. 110–111, 150–151

367
Gaal, D.A. 198
Gaede, W. 11–12, 67
Gainsford, G.J. 336
Galema, S.A. 27

Galleni, M. 112
Gamble, S. 52
Gamblin, S.J. 112
Gao, D. 111
Gao, J. 354–355
Gao, Y. 228, 250, 262, 266, 270
Garau, A. 163
Garcia-Viloca, M. 354–355
Garegg, P.J. 276, 308
Garner, D.K. 98
Garriga Oostenbrink, M.T. 65
Gatos, M. 144, 173
Ge, Q. 111
Gelinsky, M. 80
Gellman, S.H. 138
Gentile, K.E. 194–195, 205, 207
George, M.W. 15
Gerber, M. 94
Geremia, S. 38
Gerhard, A. 67
Gertner, B.J. 325
Gibson, Q.H. 11
Gilchrist, M. 107, 110
Gillard, R.D. 29
Gilson, H.S.R. 116
Giorgi, C. 110–111, 150–151, 154, 163
Glad, S.S. 239
Glasstone, S. 2, 5
Gobel, M. 173
Goldanskii, V. 321

Goldberg, D.P. 81, 107–108, 110, 143
Goldberg, K.I. 49, 52–54
Goldschmidt, Z. 30
Goldstein, S. 67–68
Golub, G. 68
Gomez-Jahn, L. 196
Gomis-Ruth, F.X. 102
Gonzalez-Lafont, A. 232
Goodman, J.L. 196
Goodwin, H.A. 14
Gordon, G. 5
Gorls, H. 119
Gottlieb, H.E. 30
Gould, I.R. 196–197
Grabowski, J. 246


368
Grampp, G. 201
Grant, M.W. 12, 17
Gray, C.H. 228, 267, 269
Gray, H.B. 22, 211
Greenwood, C. 11
Grell, E. 11
Gresh, N. 116
Grevels, F.-W. 64
Grieger, R.A. 12
Grills, D.C. 15
Grimsrud, E.P. 261
Gross, F. 113

Grove, D.M. 45
Groves, J.T. 102–103
Grundler, P.V. 26, 44
Grzybowski, J.J. 55
Guardado, P. 7, 30
Guo, X. 288, 290, 293
Guo, Y. 111
Guo, Z. 162
Guthrie, R.D. 277
Gutmann, V. 201
Guzei, I.A. 200
Hague, D.N. 12
Hahn, F.E. 23
Hakansson, K. 83–84, 88
Hall, S. 26, 44
Haller, K.J. 188
Hallinan, N. 7, 30
Hamann, S.D. 3
Hammes-Schiffer, S. 92, 354–355
Hamza, M.S.A. 8, 36
Han, R. 89
Hancock, R.D. 81, 107–108, 110
Handlon, A.L. 310
Hansen, L.M. 38
Hanson, J.C. 336
Hardcastle, K.L. 23
Hargreaves, R.T. 219, 267
Harris, J.M. 234
Harrowfield, J.M. 134
Hartl, F. 65

Hartman, M. 23
Hartridge, H. 10
Hartshorn, C.M. 184
Hartshorn, S.R. 230, 261
Hasanayn, F. 241

AUTHOR INDEX
Hasinoff, B.B. 12, 17, 55
Haslam, C.E. 11
Haukka, M. 161
Haverkamp, J. 290
Havias, Z. 94
Haynes, A. 11
Hazell, R. 298
He, C. 116, 118–121, 123, 155–156, 160
Heaton, B.T. 5, 18
Hediger, M. 134, 137
Hedinger, R. 26, 44
Hegazi, M.F. 228, 267, 269
Hegetschweiler, K. 25–26, 44
Hegg, E.L. 103–104
Heim, M.H. 26
Heinemann, F.W. 23
Heinemann, G. 250
Heinz, U. 112
Helm, L. 11, 23
Hemmingsen, L. 116
Hendry, P. 134, 137
Hengge, A.C. 134, 137
Henkel, G. 57

Henkelman, G. 358–359
Hepler, L.G. 21
Herbst-Irmer, R. 124–125, 158
Heremans, K. 11–12
Hernandez Valladares, M. 112
Herriott, J.R. 102
Herschlag, D. 133
Herzberg, O. 112
Hettich, R. 134, 137
Hiebert, T. 286, 305
Hikichi, S. 91
Hill, J.W. 244–245, 259
Hirota, N. 198
Hisada, H. 143–144, 146
Hiyashi, R.K. 190
Ha¨nggi, P. 319–320
Hofmann, A. 47
Holden, H.M. 137
Holland, A.W. 54
Holtz, K.M. 133
Holyer, R.H. 17
Holz, R.C. 128–129
Honger, S. 350
Hopfield, J. 316
Horenstein, B.A. 288–294
Horenstein, N.A. 275


AUTHOR INDEX
Hoshino, A. 94–95

Hossain, M.J. 128–129, 131
Hothi, P. 317
Houser, R.P. 173
Howell, A.A.S. 43
Ho¨rnig, A. 24, 26, 39
Huang, D.-L. 138
Huang, J. 111
Huang, X. 286, 305
Hubbard, C.D. 1, 3, 5, 7–8, 16–17, 23,
27, 30
Hudson, R.H.E. 58
Huguet, J. 87
Hummel, W. 23–24
Humphrey, J.S. 249
Humphry, T. 134, 137
Humski, H. 230
Hunig, I. 275, 311
Hunt, D.F. 30
Hunt, H.R. 5–6, 18
Hunt, J.P. 51
Hupp, J.T. 198, 207
Hush, N.S. 183–184, 186, 193, 196
Hynes, J. 321, 326
Hynes, J.T. 320, 325
Hynes, R.C. 134
Ibrahim, M.M. 92, 146–147
Ichikawa, K. 86, 92, 146–147, 173
Igarashi, Y. 128–129, 131
Igel, P. 8, 17
Iggo, J.A. 5, 18

Ikeda, T. 94–95, 107, 110–111
Inada, Y. 11
Inoue, M. 135, 137
Ippolito, J.A. 83
Iranzo, O. 168, 170, 172–173
Isaacs, N.S. 4
Isaia, F. 163
Ishihara, K. 11–12, 17
Ishii, M. 11
Ishikubo, A. 173
Ishimori, K. 55
Ismagilov, R.F. 193–196, 198–200, 205–207,
211–212
Itell, S.D. 66
Ith, R. 11
Itoh, T. 143–144, 146

369
Iturrioz, X. 129
Izumi, J. 155
Izumi, M. 86, 92
Jackels, S.C. 55
Jacobi, A. 126
Jaenicke, W. 201
Jansonius, J.N. 102
Jedrzejas, M.J. 133
Jeffrey, G.A. 91
Jencks, W. 315
Jencks, W.P. 107, 110, 121, 248, 277,
282–283, 285, 305, 307

Jenner, G. 3
Jensen, A. 26–27, 296
Jensen, F. 239, 267
Jensen, H.H. 296, 298–299
Jewett, J.G. 250
Jiang, N. 173
Jiang, W. 254, 256, 261, 267
Jin, H. 52
Jitsukawa, K. 91
Jobe, D.J. 265
Jockusch, R.A. 275, 311
Johannesson, G. 358–359
Johansson, A.A. 28
Johnson, R.C. 198
Joly, H.A. 247
Jones, D.R. 134, 137
Jonsson, B.H. 84, 88
Jonsson, H. 358–359
Jordan, R.B. 5
Jortner, J. 187, 196, 201, 203, 210, 358
Jost, A. 12
Jubian, V. 137
Jurek, P. 150
Kahn, K. 328
Kaifer, E. 126
Kajitani, S. 107, 110–111
Kamerling, J.P. 290
Kaminskaia, N.V. 116, 119–123, 156, 160
Kantrowitz, E.R. 133
Kapsabelis, S. 163

Kaptein, B. 173
Kardos, J. 326
Karki, L. 198
Karlin, K.D. 80


370
Karns, J.S. 137
Karplus, M. 330, 356–357
Katakis, D. 5
Kato, S. 240–241
Katz, A.M. 219, 267
Kaufman, F. 184
Kavanagh, S. 30
Kawahara, R. 173
Kawashima, Y. 5, 18
Kayran, C. 15, 64
Kearney, P.C. 137
Keller, E. 104, 107, 140
Kelm, H. 11–12, 14, 21
Kenley, R.A. 134, 137
Keppler, B.K. 26
Kessi, J. 350
Kessik, M.A. 261
A˚kesson, R. 23
Kettle, S.F.A. 17
Kicska, G. 336
Kiefer, L.L. 110–111
Kiefer, M. 112
Kiefer, P. 321, 326

Kiehlman, E. 250
Kikuta, E. 80, 135
Kim, C.-K. 270
Kim, J.H. 103, 137
Kim, Y. 188, 190, 203–204
Kim, Y.-J. 198
Kimura, E. 80, 84–85, 94–95, 107, 110–111,
113, 115–116, 124, 135, 137–140, 143
King, M.A. 49
Kiplinger, J.L. 49
Kirchner, K. 51
Kisch, H. 64
Kitajima, N. 91
Kitos, T.E. 276, 290, 311
Klabunde, T. 133
Klamt, A. 223, 230, 263
Kleifeld, O. 94
Klinedinst, P.E. 277
Klinman, J. 326
Ko¨lle, U. 24–26, 39, 44
Knier, B.L. 248
Knoll, T.L. 293
Ko, E.C.F. 247
Kodama, M. 84, 107
Kodama, Y. 107, 110–111, 139
Koeckert, M. 95, 99

AUTHOR INDEX
Koelle, U. 25
Koerner, T. 219, 259

Kohen, A. 317, 326
Koike, T. 80, 84–85, 107, 110–111, 113,
115–116, 124, 135, 137–140, 143
Koizumi, M. 11–12
Koldziejska-Huben, M. 224
Kolodziejska-Huben, M. 228, 250, 262, 266,
270
Komiyama, M. 173
Kondo, Y. 11–12
Kong, D. 150, 155
Konradsson, A.E. 195, 200, 207, 211–212
Kooijman, H. 111, 163–165, 173
Kopf, H. 26
Kopf-Maier, P. 26
Koshtariya, D. 8
Koshy, K.M. 246, 261
Kosloff, R. 185
Kotowski, M. 5, 8
Kou, F. 111
Koutcher, L. 95–97
Kovalevsky, A.Y. 168
Kovari, E. 173
Kraft, J. 11–12
Kramer, R. 173
Krauss, M. 116
Kraut, J. 354
Krebs, B. 133
Krebs, J.F. 83
Kreevoy, M.M. 240
Kroemer, R.T. 275, 311

Kunz, R. 356, 358
Kupka, T. 119
Kuroda, Y. 87
Kuznetzov, A.M. 199
Kuzuya, A. 173
Labinger, J.A. 49, 52
Lai, Z.-G. 234, 255, 257
Laidlaw, W.M. 198
Laidler, K.J. 2, 5
Lain, L. 220, 227
Laine, R.M. 134, 137
Lamzin, V.S. 93
Lang, E. 17
Langford, C.H. 22
Langstrom, B. 225, 228, 244, 259, 263–264


AUTHOR INDEX
Lanza, S. 27
Larese, J.Z. 336
Larsson, S. 198, 210
Laurenczy, G. 11, 25
Lawrance, G.A. 21, 29
Lu¨demann, H.-D. 17
Le Borgne, G. 60
le Noble, W.J. 2–3, 7, 23
Lebuis, A.-M. 134, 137
Lee, B. 66
Lee, H.S. 240–241
Lee, J.K. 284–285, 311

Lee, J.R. 278
Leffek, K.T. 247
LeVanda, C. 184
Lever, A.P.B. 16
Levy, Y. 358
Lewandowicz, A. 335
Lewis, E.D. 220
Li, D. 111
Li, S. 111
Li, S.G. 278
Li, Y. 137, 162
Li, Z.-W. 24
Liang, N. 209
Liang, X. 296
Liehr, G. 32, 53–54
Liljas, A. 83–84, 88
Lin, H. 110–111, 173
Lin, J. 162
Lin, M. 111
Lincoln, S.F. 21, 23
Lindoy, L.F. 134, 137
Lindskog, S. 83–84, 86, 88
Linssen, A.B.M. 349
Lippard, S. 95, 99
Lippard, S.J. 79–80, 116, 118–123, 155–156,
160
Lippolis, V. 163
Lipscomb, W.N. 100, 102, 133
Liptay, W. 197
Liras, J.L. 278

Liu, C. 173
Liu, J. 5, 18
Liu, J.-C. 307
Liu, P. 173
Liu. T.Hiyama, J. 5, 18
Liu, Y. 173
Llorens-Cortes, C. 129

371
Lockard, J.V. 211
Looney, A. 89
Lopez, O. 298
Lotz, S. 59
Lowther, W.T. 128
Lu, H.P. 198
Lu, X.D. 277
Lu, Y. 162
Lucatello, L. 173
Lucero, C.G. 301
Luchinat, C. 83
Ludi, A. 23–24
Luginbu¨hl, W. 24
Luiz, M.T.B. 128
Luo, J. 328
Luo, Y. 211
Lutz, S. 354
Lye, P.G. 40
Lynch, V. 168
Lynch, V.M. 79, 173
Lyngbye, L. 296

Lynn, K.R. 228
Maas, O. 25
Maccoll, A. 243, 251, 263
Macholdt, H.-T. 43
Macleod, N.A. 275, 311
MacMillar, S. 224
Madhavan, S. 228, 250, 254, 262, 266, 270
Magde, D. 55
Mahon, M.F. 307
Makarov, D. 321
Makowska-Grzyska, M.M. 133
Makri, N. 319
Maltby, D. 310
Mancin, F. 144, 173
Mandolini, L. 133, 163–164
Mangani, S. 83, 100
Marcus, R.A. 184, 201, 203, 318
Marder, S.R. 198
Marder, T.B. 11
Mareque-Rivas, J.C. 149
Maret, W. 82
Martell, A.E. 128, 150, 155
Marti, S. 217, 270
Martin, R.B. 80
Martin-Villacorta, J. 116
Marx, D. 304


372
Marynick, D.S. 38

Marzoukas, M. 198
Masarwa, A. 15, 66
Masgrau, L. 317
Masuda, H. 91
Matousek, P. 15
Matras, A. 24
Matsson, O. 220, 222–225, 227–229, 244,
250, 253, 259, 262–266, 269–270
Matsuda, S. 173
Matsumoto, K. 168
Matsumoto, M. 51
Matthews, B.W. 100, 128
Matyushov, D.V. 187
Maurer, C. 104, 107, 140
Maxfield, B.M. 12
Mayer, J.M. 92
McAlexander, L.H. 98
McArdle, P. 30
McCann, J.A.B. 276
McCardle, P. 7, 30
McCarter, J.D. 295, 297
McDaniel, C.S. 137
McDonnell, C. 298
McFarlane, K.L. 66
McMahon, T.B. 265
McManis, G.E. 51
McNeill, K. 89
McPhail, D.R. 278
Meijers, R. 93
Melander, L. 217–218, 225–226

Mendez, R. 116
Mennucci, B. 223, 230, 263
Merbach, A.E. 11–12, 17, 21–26, 39–40, 44
Merli, A. 93
Meroueh, S.O. 112
Merz, K.M. 116
Meshulam, A. 67
Meyer, F. 124–127, 158, 160
Meyer, T.J. 184, 200
Meyer-Klaucke, W. 112
Meyerstein, D. 15, 66–68
Michaud, A. 129
Milakofsky, L. 261
Milburn, R.M. 134, 137
Milet, A. 52
Miljkovic, M. 296, 300
Miller, J.R. 199, 209
Miller, W.H. 324

AUTHOR INDEX
Milnes, L. 11
Mincer, J.S. 328, 341
Minnihan, E.C. 143
Minniti, D. 27
Mitchell, T. 112
Mobashery, S. 112
Mochizuki, A. 87
Mock, W.L. 100
Mohamed, A.A. 267
Mohan, S.K. 173

Mohr, R. 17
Molenveld, P. 111, 163–165, 173
Moliner, V. 217, 269–270
Montoya-Pelaez, P.J. 133
Moore, P. 17
Moran, G. 30
Morishima, I. 55
Morlok, M.M. 89
Moro, S. 173
Moro-oka, Y. 91
Morris, R.A. 232
Morris, R.J. 93
Morrow, J.R. 168, 170, 172–173
Morse, D.L. 63
Mozaki, K. 5, 18
Mueller, J.L. 197
Muir, M.M. 60
Mulbry, W.W. 137
Mulliken, R.S. 186
Murphy, P. 298
Murr, B.L. 250
Nakamura, H. 211
Nakamura, I. 107, 110–111
Nakata, K. 86, 92, 173
Nakayama, Y. 128–129, 131
Namchuk, M.N. 295, 297
Namuswe, F. 143
Navon, N. 68
Nelsen, S.F. 183, 186, 188–196, 198–200,
203–207, 210–212

Nelson, J.O. 137
Neubrand, A. 57–58
Neugebauer, F.A. 190–191
Neverov, A.A. 133
Newton, M.D. 185, 187, 196–198
Nu´n˜ez, S. 315, 335–336, 340–341, 349
Nguyen, T. 289


AUTHOR INDEX
Nichols, P.J. 11–12
Nielson, R.M. 51
Nieuwenhuis, H.A. 65
Nijhoff, J. 65
Nishida, Y. 128–129, 131, 133
Nolting, H.F. 112
Nomura, A. 173
Nordlander, E. 161
Nordmann, P. 112
Nordstrom, B. 92
Nordstrom, L.U. 299
Norman, P.R. 134, 138
Noukakis, D. 196
Nowacki, A. 303
Nuber, B. 126
Nukada, T. 308–309
Nuttall, S. 7
O’Brien, P.J. 133
Offen, H. 14
Offen, H.W. 14

Ogata, T. 50
Oh, D.H. 198
Ohba, M. 155
Ohlsson, I. 92
Okawa, H. 155
O’Leary, M.H. 254
Olsen, L. 116
Olszanski, D.J. 55
Ono, K. 133
Onodera, K. 143
Oppenheimer, N.J. 310
O’Reilly, S.A. 52
Orellano, E.G. 112
Orioli, P. 100
Ortiz, R. 198
Orvig, C. 23
Osborne, M. 354
Osella, D. 25
Oskam, A. 65
Ottosson, H. 299, 308
Ozkar, S. 64
Ozturk, G. 107, 111
Page, M.I. 119
Paley, M.S. 234
Palmer, D.A. 8, 11–12, 21
Palumbo, M. 173

373
Paneth, P. 220, 222–224, 227–229, 250, 254,
262–266, 269–270

Paoletti, P. 110–111, 150–151
Paoli, P. 110–111
Paris, G. 289
Parish, L. 11
Park, D.-H. 92
Park, J. 184
Parker, A.W. 15
Parkin, G. 80–81, 89, 95–97
Parshall, G.W. 66
Parsons, S.A. 27
Paschkewitz, J.S. 232
Pauling, L. 220, 315
Paulson, J.F. 232
Paulus, H. 24, 26, 29, 39
Pauptit, R.A. 102
Pavan Kumar, P.N.V. 38
Payne, D.J. 112
Pearson, R.G. 45, 60
Pelizet, G. 38
Pelmenschikov, V. 102
Pelzer, H. 2
Peng, W. 173
Periana, R.A. 52
Perra, A. 163
Perrin, M.W. 2–3
Persson, J. 228, 244, 253, 259, 263–264
Petsko, G. 129, 326
Petter, R. 138
Pettersson, L.G.M. 23
Pfeffer, M. 60

Pham, T.V. 232, 242–243, 245–246, 253,
259–261
Phelps, D.K. 199
Phillips, D.D. 304
Pierattelli, R. 83
Pinnick, H.R. 246
Piotrowiak, P. 199
Pipoh, R. 57
Pittet, P.-A. 23–24
Pitts, J.N. 197
Pladziewicz, J.R. 203
Plapp, B.V. 92, 95
Pliego, J.R. 266
Pocker, Y. 107
Poe, A.J. 58
Poirel, L. 112
Poirier, R.A. 234–238, 247


374
Polanyi, M. 2
Portius, P. 15
Poth, T. 40
Powell, D.H. 23
Powell, D.R. 189–195, 198–199, 205, 207,
211–212
Prasthofer, T.W. 234
Prinz, U. 25–26, 44
Pritzkow, H. 124–126, 158
Procelewska, J. 49, 53–54

Projahn, H.-D. 55–56
Prouse, L.J.S. 7
Raabe, G. 26, 44
Rabor, J.G. 66
Radhakrishnan, R. 343
Radkiewicz, J. 354
Radulovic, S. 7
Rajagopalan, P. 354
Ramaswamy, S. 92, 95
Ramm, M.T. 191, 207, 211
Rangappa, K.S. 255
Rao, K.S. 173
Rapaport, I. 23
Raphael, A.L. 173
Rapp, M.W. 246, 261
Rasia, R.M. 112
Rasmussen, B. 112
Rasmussen, B.A. 112
Rassat, A. 198
Ratner, M.A. 185
Raushel, F.M. 137
Ravera, M. 25
Rawji, G. 134, 137
Rawlings, J. 134
Reddy, P.R. 173
Reibenspies, J. 150
Reinhoudt, D.N. 111, 133, 163–165, 173
Ren, W. 359
Renner, M.W. 51
Rheingold, A.L. 143

Rich, P. 138
Richard, J.P. 168, 170, 172, 278–279, 281,
287, 292, 307
Richards, M. 15
Richens, D.T. 24
Richmond, M.K. 52
Richmond, T.G. 49

AUTHOR INDEX
Rijkenberg, J. 11–12
Rinderman, W. 67
Ringe, D. 129
Rival, S. 112
Rizzoto, M. 128
Robertson, R.E. 246, 261
Robin, M.B. 183
Robinson, G.C. 277
Robinson, J.J. 307
Roca, M. 270
Rodeheaver, G.T. 30
Rodgers, J. 269
Rodriguez, O. 307
Rogers-Crowley, S. 192, 211
Rombach, M. 104, 107, 140
Romeo, R. 27
Romero, J.A.C. 301
Romesberg, F. 317, 326
Rossi, P. 173
Rossolini, G.M. 112
Rostkowaski, M. 227–229, 263, 269

Rostkowski, M. 220, 222–224, 264–265
Rotzinger, F.P. 23
Roughton, F.J.W. 10–11
Rozenfeld, R. 129
Rubin, E. 103
Rubinowicz, A. 197
Rudzinski, J. 254
Ruf, M. 89, 95–97, 104, 107
Ruggiero, D.G. 270
Ruggiero, G.D. 307
Rulisek, L. 94
Runser, C. 198
Russell, D.R. 7
Rutsch, R. 126
Ryabov, A.D. 60
Ryba, D.W. 66
Ryberg, P. 228, 250, 262, 266, 270
Safford, L.K. 51
Sagi, I. 94
Sakaki, S. 51
Sakiyama, H. 128–129, 131, 133
Saldana, J.L. 11
Salignac, B. 26, 44
Salter, M.H. 81, 107–108, 110
Salvio, R. 133, 163–164
Sandlers, Y. 310


AUTHOR INDEX
Sandstro¨m, M. 23

Sano, N. 198
Sargeson, A.M. 134, 137
Sartori, A. 133, 163–164
Sartorius, C. 94
Sato, S. 173
Satoh, T. 52
Saunders, W.H. 217–219, 267
Sauvageat, P.-Y. 11
Sawaya, M. 354
Sayre, L.M. 103
Scarso, A. 173
Schauer, R. 290
Scheek, R.M. 349
Scheffer, U. 173
Schenkman, S. 289–290
Schepartz, A. 102
Schindler, S. 23
Schlick, T. 343
Schlott, R. 7
Schmid, M.F. 102
Schmidt, G. 29
Schmidt, R. 11
Schmu¨lling, M. 45–46
Schneider, H. 134, 137
Schneider, J.F. 24, 26, 39
Schneider, K.J. 56–57
Schnell, J. 354
Schofield, C.J. 116
Scholte, A.A. 288, 293
Schowen, K.B. 228, 267, 269

Schowen, R. 317, 326
Schowen, R.L. 228, 267, 269
Schramm, V. 315
Schramm, V.L. 335–336, 340, 349
Schwartz, S.D. 315, 319, 322–323, 325–326,
328, 333, 335–336, 340–341, 343, 349
Scopelliti, R. 26, 44
Scott, J.M.W. 246
Scrimin, P. 173
Scrutton, N. 317
Seib, R.C. 250
Sendijarevic, V. 230
Seo, J.S. 134
Setlow, P. 133
Shaham, N. 67–68
Shames, S. 350
Shelton, V.M. 173
Shen, K.W. 188

375
Shenoy, S.R. 302
Shi, W. 336
Shi, Z. 270
Shiina, N. 86
Shilov, A.E. 49
Shim, H. 137
Shimomura, N. 86, 146
Shin, Y.K. 198
Shiner, V.J. 218–219, 225, 230, 246,
249–251, 261, 264

Shionoya, M. 80, 94–95, 107, 110–111
Shiota, T. 84, 107
Shiro, M. 84, 86, 92, 107, 110–111, 135, 137,
139, 146–147
Showalter, B.M. 307
Shul’pin, G.B. 49
Sidorenkova, E. 25
Sidorenkova, H. 23
Siegbahn, P.E.M. 102
Siegfried, V. 26
Silverman, D.N. 83, 86
Simons, J.P. 311
Sims, L.B. 220
Singh, S. 111, 138
Singleton, J. 200
Sinnott, M.L. 282, 284–285, 288, 290, 293
Sisley, M.J. 17, 67
Sissi, C. 173
Skowronski, E. 299, 308
Sladkov, A.M. 28
Slebocka-Tilk, H. 87, 150
Sligar, S. 357
Smith, A.E. 43
Smith, H. 350
Smith, J. 79, 173
Smith, K. 83–84
Smith, P.J. 255
Smythe, N.A. 53–54
Snauwaert, J. 11
Snoek, L.C. 275, 311

Soderberg, B.O. 92
Soderlund, G. 92
Sohi, M.K. 112
Somsak, L. 276
Sordo, T.L. 116
Soto, R.P. 112
Spek, A.L. 45, 111, 163–165, 173
Spencer, J. 112
Spey, S.E. 11


376
Spingler, B. 95, 99, 120–123
Spitzer, M. 11–12
Spreer, L.O. 198
Sridharan, S. 246
Stahl, S.S. 52
Stamper, C. 129
Stanford, D.J. 100
Stark, W. 102
Stebler, M. 51
Stebler-Ro¨thlisberger, M. 23–24
Stec, B. 133
Stikvoort, W.M.G. 163–165, 173
Stochel, G. 14
Stockler, W. 102
Stone, J.T. 107
Storrie, H. 95–97
Stranks, D.R. 3, 14, 29
Strater, N. 100, 102, 133

Straub, J.E. 319
Strehlow, H. 12
Streitwieser, A. 250
Stretwieser, A. 241
Stubbs, J.M. 304
Stufkens, D.J. 65
Su, X. 110–111
Suarez, D. 116
Sugata, T. 11
Sugiura, Y. 173
Suh, J. 80
Sumaoka, J. 173
Sun, H. 110–111, 173
Sun, W. 111
Sun, X.-Z. 15
Sung, N.D. 134
Sunko, D.E. 250
Surry, C. 286, 305
Sutclifie, M. 317
Sutin, N. 51, 184–186, 196, 198, 201, 207,
318
Sutton, B.J. 112
Sutton, P.A. 102
Suvachittanont, S. 21, 29
Suzuki, T. 133
Svensson, L.A. 83
Svingor, A. 326
Swaddle, T.W. 16–17, 22, 34, 51, 67
Swift, T.J. 17
Szajna, E. 133

Szele, I. 250

AUTHOR INDEX
Szpoganicz, B. 128
Szylhabel-Godala, A. 254
Tabacco, S.A. 301
Tabata, Y. 15
Tabushi, I. 87
Tada, T. 143–144, 146
Tafesse, F. 137
Takabayashi, K. 350
Takamura, M. 107, 110, 113, 115–116, 124
Takasaki, B. 137
Takasaki, B.K. 103
Talbot, F.O. 311
Talkner, P. 319–320
Tanabe, H. 228, 246
Tanaka, K.S.E. 276, 279
Tanaka, M. 11, 17, 91
Tang, W. 111
Tapia, O. 92
Tarani, M. 173
Tate, A. 138
Taube, D.J. 52, 55
Taube, H. 52, 183
Taube, H.J. 5–6, 18
Tauzher, G. 38
Taylor, I.A. 112
Taylor, J.W. 219, 261
Tecilla, P. 144, 173

Tei, L. 163
Teki, Y. 195, 200, 206–207, 212
Telo, J.P. 211
Templeton, J.L. 52
Thaler, F. 23
Thompson-Colo´n, J.A. 188, 190
Thorpe, I. 354–355
Tobe, M.L. 5, 27
Tokairin, I. 91
Toleman, M.A. 112
Tomasi, J. 223, 230, 263
Tomic, M. 250
Tone, K. 133
Tonellato, U. 144, 173
Toniolo, C. 173
Topaler, M. 319
Torre, A. 220, 227
Tosacano, J.P. 307
Toteva, M.M. 278–279, 281, 287
Towrie, M. 15


AUTHOR INDEX
Traylor, T.G. 55
Tregloan, P.A. 12, 16
Trieber, D.A. 200, 206
Trieber, D.W. 192, 211
Trieber II, D.A. 196
Tripp, B.C. 83–84
Trofimenko, S. 89, 95

Truhlar, D. 320, 354–355
Truhlar, D.G. 232
Tschanz, R. 11
Tse, D.S. 134, 137
Tsuji, Y. 278–279, 281, 287
Tucker, S.C. 232
Tunon, I. 217, 270
Turnquist, C.R. 261
Twigg, M.V. 29
Tyler, P.C. 336
Uddin, M.K. 173
Udodong, U.E. 299, 308
Ueno, T. 133
Ullah, J.H. 112
Ulrich, S. 25
Ungaro, R. 133, 163–164
Unno, M. 55
Unoura, K. 128–129, 131
Urzel, L. 14
Vahrenkamp, H. 80, 89, 95–98, 103–104,
107, 113, 140
Valentine, A.M. 112
Vallee, B.L. 82
Valtancoli, B. 110–111, 150–151, 154, 163
van der Graaf, T. 65
van der Zwan, G. 325
van Eldik, R. 2–3, 5, 8, 11–12, 14–15, 17,
22–23, 29, 32, 36, 38, 43, 45–47, 49, 51–60,
63–68
van Koten, G. 45

van Nuland, N.A.J. 349
van Outersterp, J.W.M. 65
van Rooyen, P.H. 59
Vance, F.W. 198, 207
Vanden-Eijnden, E. 359
van-Eldik, R. 85–86
Vanhooke, J.L. 137
Vasella, A. 276
Vasneva, N.A. 28

377
Veldman, N. 45
Venkatachalam, T.K. 137
Verma, C.S. 112
Vidovic, D. 124–125, 158, 160
Viggiano, A.A. 232
Vila, A.J. 112, 116
Vitullo, V.P. 246
Vliegenthart, J.F.G. 290
Voelkel, G. 17
Vogler, R. 80
Vontor, T. 292
Wagner, S. 350
Wahlgren, U. 23
Wahnon, D. 137
Waissbluth, M.D. 12
Wakita, Y. 91
Waldbach, T.A. 59
Wales, D. 359
Wall, M. 137

Walsh, T.R. 112
Walters, K.A. 198
Walz, R. 96–97
Walz, W. 98
Wan, T. 112
Wanat, A. 14
Wang, L.J. 309
Wang, M. 173
Wang, S.L.B. 57
Wang, X. 162
Wang, Y. 188, 190, 234–238
Wang, Z. 112, 116, 122–123
Warburton, P.M. 55
Wasden, C.W. 133
Waszczylo, Z. 246, 255, 257
Watson, J.N. 288, 293
Watts, A.G. 289
Weaver, M.J. 51, 199
Weaver, M.N. 211
Webb, S.P. 92
Weber, J. 23, 25
Weber, W. 14
Wehenkel, A. 289
Wehnert, A. 83, 88
Weinan, E. 359
Weinberg, N. 270
Weinberg, W. 358
Weis, K. 96–97, 104, 107, 140

378
Weissman, S.I. 198
Weller, M. 8, 17
Wen-Fu, F. 63–66
Westaway, K.C. 217–220, 222–224,
227–230, 232, 234–238, 242–248, 250–257,
259–267, 269–270
Westheimer, F.H. 225–226
Weston, J. 80
Whalley, E. 3
Wherland, S. 51
White, P.S. 52
Whitfield, D.M. 308–309
Wick, D.D. 52
Wickramasinghe, W.A. 119
Wieland, S. 11–12, 63
Wight, C. 321
Wigner, E. 2
Wilcox, D.E. 133
Wild, J.R. 137
Wilgis, F.P. 218–219, 225
Wilkins, C.L. 250
Wilkins, R.G. 5, 17
Wilkinson, G. 27
Willey, J.F. 219
Willi, A.V. 225
Williams, B.S. 53–54
Williams, I.H. 217, 232, 269–270, 307
Williams, N.H. 134, 137, 149
Williams, P.A.M. 119

Williams, R.C. 261
Williams, R.D. 198, 207
Williams, R.J.P. 82
Wilson, K.R. 325
Wilson, K.S. 102
Wing, C. 349
Winkler, J.R. 183, 211
Winstein, S. 277
Winterle, J.S. 134, 137
Wiskur, S.L. 173
Wisniewski, A. 303
Withers, S.G. 276, 289, 295, 297
Woerpel, K.A. 301–302
Wolak, M. 14
Wolfe, S. 270
Wolfenden, R. 277
Wolff, J.J. 189–192, 211
Wolfsberg, M. 218
Wolynes, P. 357
Wommer, S. 112

AUTHOR INDEX
Woods, R.J. 300
Woolley, P. 87, 138
Woon, T.C. 119
Worm, K. 168
Wright, P. 354
Wrighton, M.S. 63
Wu, Z. 299, 308
Wulff, W.D. 57

Wynne-Jones, W.F.K. 2
Xia, C. 173
Xia, J. 111
Xiang, Q. 173
Xie, R. 173
Xu, Y. 111
Xue, Y. 84, 88
Yamada, Y. 94–95
Yamaguchi, S. 91
Yamataka, H. 228, 246, 267
Yang, D. 111
Yang, J. 15, 289
Yang, J.S. 289–290
Yang, M.Y. 168, 172
Yang, X. 162
Yanigada, S. 50
Yankwich, P.E. 228
Yankwich, P.F. 228
Yano, Y. 17
Yashiro, M. 173
Yeagley, D. 296, 300
Yerly, F. 23
Yin, X. 111
Yohoyama, T. 155
Yoshikawa, Y. 143–144, 146
Youg, R.H. 196
Young, G. 277
Young, R.H. 197
Yu, A.D. 12
Yu, B. 16

Yu, K. 111
Yu, X. 173
Zagotto, G. 173
Zahl, A. 8, 17, 49, 51–54
Zakharov, L.N. 143
Zanchi, D. 110–111, 150–151
Zanchini, C. 110–111


AUTHOR INDEX
Zavodszky, P. 326
Zbinden, P. 24
Zechel, D.L. 276
Zeppezauer, E. 92
Zeppezauer, M. 94, 112
Zevaco, T.A. 119
Zgierski, M.Z. 308–309
Zhang, G. 173
Zhang, J. 173
Zhang, M. 55
Zhang, T. 173
Zhang, X. 85–86
Zhang, Y. 285

379
Zhao, X.G. 232
Zhong, H.A. 49
Zhou, Z. 110–111, 173
Zhu, C. 211
Zhu, J. 286–287, 305

Zhu, S. 110–111
Zhu, Y. 162
Ziller, J.W. 301
Zimmer, L.L. 55
Zink, J.I. 211
Zou, X. 137
Zsolnai, L. 126
Zwanzig, R. 320


SUBJECT INDEX

amide hydrolysis in carboxypeptidase A,
mechanism for, 101f
carboxy ester hydrolysis reactivity of
mononuclear zinc complexes, 107–111,
see also separate entry
geometrical changes at the zinc center
during, 106
metal center role in, 104f
metal-mediated, 103
mononuclear zinc complexes, reactions
involving, 100–106
peptide hydrolysis, 128–133, see also
individual entry
phosphate ester hydrolysis, 133–173, see
also individual entry
zinc-mediated, 105
b-Lactam hydrolysis, 111–127, see also
individual entry

Aryl-bridged ligands, 136

2-hydroxypropyl 4-nitrophenyl phosphate
(HPNP) transesterification, 139f,
144–145, 157, 161–165
calix[4]arene complexes examined for,
166f, 168f
4-Nitrophenyl acetate hydrolysis, 108
catalyzed by [(PATH)Zn–OH], 110f
catalyzed by aqueous hydroxide ion and
[([12]aneN4)Zn(OH)]+, 108f
Addition reactions, of thermal organometallics, 57–59
chromium and tungsten pentacarbonyl
compounds, cycloaddition reactions, 57
metal pentacarbonyl a, b-unsaturated
Fischer carbene complexes, addition
reactions, 57–58
osmium cluster, addition to, 58–59
Adenosylcobalamin (AdoCbl), 31
Aeromonas proteolytica (ApAP), 128
co-catalytic zinc centers in, 128f
peptide hydrolysis by, mechanistic pathway for, 129f
Alcohol oxidation, in Zn–OHn (n=1 or 2)
species reactivity 92–100
[(ebnpa)Zn––OCH3]ClO4 and [(ebnpa)Zn–OH]ClO4, preparative routes for, 99f
deprotonation of the zinc alcohol complexes, 95, 96f
horse liver alcohol dehydrogenase, 93f
macrocyclic zinc complex, hydride transfer catalyzed by, 94f
reaction with trifluoroethanol, 98f
structure/reactivity relationships, 95

tetrahedral zinc-alkoxide and aryloxide
complexes, equilibrium formation, 97
zinc alkoxide complexes, hydride transfer
reactivity, 98f
Amide hydrolysis, 100–133
active site zinc center in carboxypeptidase
A, structural features, 101f

B.Cereus, 113f
B. fragilis, 113f, 116, 122, 124
B. stearothermophilus, 326
Benderskii’s model, 321–326
Bigeleisen treatment, 218
Bimido ligand, 170f
bis(1-methylimidazol-2-ylmethyl)ethylamine, 151f
bis(4-nitrophenyl) phosphate hydrolysis,
150f, 153f–154, 157, 159f
Bixon–Jortner (BJ) approach, 196
Bizinc cryptand complex, 135f
Bond Strength Hypothesis, 244, 247,
253–257
BPAN (2, 7-bis[2-(2-pyridylethyl)aminomethyl]-1,8-naphthyridine ligand, 155
s- and p-Bridged dinitrogen-centered intervalence radical cations, electron transfer
reactions within, 183–212, see also under
electron transfer (ET) reactions
393


394
4-s-bond-bridged IV compounds in acetonitrile, 190t

4-s-bondbridged bis(hydrazine) IV radical cations, ESR rate constants for,
192t
6-s-bondbridged bis(diazenium) IV radical cations, ESR rate constants for,
193t
ion-pairing effects, 198–200
kopt calculation, from optical data using
adiabatic theory, 204–208
ls from lv, separation, 200–204
p-bridged systems, kET values determination for, 192–195
s -bridged systems, kESR values determination, 187–192
Carbapenems, 112f
Carbonic anhydrases (CAs), 83
active site features, 83f
a-type CA, catalytic mechanism, 84f
Carboxy ester hydrolysis reactivity of
mononuclear zinc complexes, 107–111,
see also 4-Nitrophenyl acetate hydrolysis
L2 ligand, 111
of [([15]aneN3O2)Zn(OH)]+, 111
of [(TpCum,Me)Zn–OH], 109f
Cephalosporins, 112f
Cephalothin, 121
sodium salt of, 119f
Chelate tetradentate tripodal ligands, 147
Chromium and tungsten pentacarbonyl
compounds, cycloaddition reactions, 57
cis-2,4,6-traminocyclohexane-1,3,5-triolcontaining ligands, 159f, 160
CO2 hydration, 83–92, see also Carbonic
anhydrases (CAs)
bridging bicarbonate complexes, 91f

catalytic reactivity, mechanism, 87
catalyzed by [([12]aneN3)Zn(OH)]+, 85f
mononuclear tetrahedral zinc hydroxide
and aqua complexes, 90f
supporting chelate ligands for, 88
Cobalt(III) complexes, 103f
Copper(I) complexes, 68
Cyanoimidazoylcobamide (CN(Im)Cbl), 32
b-Cyclodextrin-appended zinc complex,
138f

SUBJECT INDEX
Cyclometallation in dirhodium(II) compounds, 62–63
Dielectric continuum theory, 201
Diels–Alder reactions, 30
Dihydrofolate reductase (DHFR), 354–356
Dimethylbenzimidazole (DMBz), 31–36
Dimethylsulphide (DMS), 40–46, 116–125,
136, 160, 163, 200–202, 224
Dinuclear pallada- and platina-cycles,
monomerisation, 60–62
ebnpa-Ligated zinc methoxide and hydroxide complexes, 99
methanolysis equilibrium of, 100f
Eigen–Wilkins mechanism, 17, 29
Electron transfer (ET) reactions, 183–212,
see also under s- and p-bridged dinitrogen-centered intervalence radical cations
11 conformers, preparation, 190–192
18 linked bonds, interconversion of diastereomeric conformations, 194f
9,10–anthracene-bridge compound 28+,
195

aryl-bridged bis(hydrazine) IV radical
cations, ESR rate constants for, 195t
bis(hydrazine) radical cations in, 201f
BJ treatment for ET within IV compounds, 208–211
Class I compounds, 183
Class II compounds, 183
Class II IV compound, Marcus–Hush
classical two-state model, 184f, 185f
Class II IV compounds, 184
Class III compounds, 183
Class III IV compound, 184
Creutz–Taube complex, Class IV, 183
ET distance estimation, 197–198
hydrazines, ET reactions in, 188
IV band, determination of ET parameters
from, 196–198
IV bandwidth, 196–197
low-bridge-oxidized excitation energies,
effecting, 211–212
neutral forms of Hy2Ar+ studied for, 194f
solvent effects in, 201
Enzymatic systems, rate-promoting motions
in, 328–342


SUBJECT INDEX
basin hopping in the conformation space,
357–358
conformation space, searching, 356–359
conformational fluctuations, 353–359

correlated protein motions, 342–353,
see also under protein motions
horse liver alcohol dehydrogenase
(HLADH), 328–330
human purine nucleoside phosphorylase
(hPNP), 335–342, see also separate
entry
lactate dehydrogenase, 330–335
string method for finding reaction pathways, 358–359
topological structure of conformation
space, 356–357
Enzyme dynamics effect, on catalytic activity, 315–359
enzymatic systems, rate-promoting motions in, 328–342, see also separate entry
proton transfer and rate-promoting vibrations, 317–328, see also separate
entry
Enzyme lactate dehydrogenase (LDH),
316
Essential dynamics (ED), 347–353
Fermi’s golden rule, 321
Franck–Condon factor, 209
H(bppmp) ligand, 133f
Hamiltonian equation, 320, 323–326
Heterobimetallic compounds, 59–60
Hexa-aqua osmium(II) species, 24
Hexa-aqua ruthenium(II), 23
High pressure containers, for organometallic reactions, 5, 10
‘pill-box’ optical cell, 9f, 14
narrowbore probeheads, 20f
piston-cylinder high pressure apparatus,
7f

Horse liver alcohol dehydrogenase
(HLADH), 93f, 328–330
Human purine nucleoside phosphorylase
(hPNP), 335–342
charge fluctuations, 341–342
dynamics, 338–340
energetic barrier, 340–341
nomenclature, 336

395
QM/MM model, 337
with marked residues, 352f
Hush equations, 197
Hush-type IV band, 193
Hydrazines, ET reactions in, 188
Hydrostatic pressure, 1
Hydrotris(pyrazolyl)borate-ligated zinc
complexes, 98
Imidazole (CN(Im)Cbl), 36, 37f
Imidazole/carboxylate-donor ligand, 170f
Infrared (IR) spectroscopy, 8
Ion-pairing effects, 198–200
Isomerisation reactions, 49–50
Kinetic isotope effects (KIEs), 217–270,
see also under SN2 reactions
incoming group KIEs, 225
leaving group KIEs, 219–225
primary KIE, 219–230
secondary KIEs, 230–251
secondary a-deuterium KIEs, 230–249

secondary b-deuterium KIEs, 249–251
substituents, the solvent, ion pairing and
enzymes effect determination using,
251–270, see also individual entry
theory, 217–251
L24 ligand framework, 151
L25–L27 ligands, 155f
L28–L30 ligands, 156f
L33 ligand, 162f
L34 ligand, 163, 165f
L35 ligand, 163, 165f
L38–L40 ligands, 171f
L41 and L42 ligands, 172f
Lactate dehydrogenase (LDH), 330–335
binding site of, 331f
reactive trajectories in, 343–344
b-Lactam hydrolysis, 111–127
[([12]aneN4)Zn–OH]+ with penicillin G,
116f
[(TpAr,Me)Zn–OH] with, 115f
[(TpPh,Me)Zn–OH] reactivity with derivatives of penicillin and cephalosporin,
114f
[(TpPh,Me)Zn–OH] reactivity with unactivated b-lactams, 114f


396
[Zn2L3(m-OH) (NO3)2] formation in
water, 121f
bimolecular reaction of [([12]aneN4)Zn(OH)]NO3 with, 124f
catalyzed by [Zn2L3(m-OH)(NO3)2] in wet

DMSO, 123f
mechanistic pathways, 112
nitrocefin hydrolysis, 116–117
pyrazolate-bridged binuclear zinc hydroxide complexes, 125f
Langevin equation, 319–320
Ligand substitution, in thermal organometallic reactions, 26–49
cobalamin (CNCbl), 31f, 31–34
cobalt, 31–38
iridium, 38–43
iron, 29–31
manganese, 28–29
molybdenum, 29–31
platinum, 45–49
rhenium, 44–45
rhodium, 38–43
titanium, 26–27
tungsten, 43
vanadium, 27–28
Liptay equation, 197
L-leucine–p-nitroanilide (LNA) hydrolysis,
131
mediated by phenanthroline-containing
polyamine ligand, 132f
Marcus–Hush (MH) theory, 184f, 187–192
Marcus–Levich–Dogonadze theory, 318,
320
Maxwell thermodynamic equality, for organometallic reactions, 21
Metal pentacarbonyl a, b-unsaturated
Fischer carbene complexes, addition reactions, 57–58
Metalloaminopeptidases, 128–133

Metal-to-ligand charge transfer (MLCT)
band, 63–65
Mulliken–Hush theory, 197
N- and N/O-donor ligands, macrocyclic,
152f
N-benzylnicotinamide cation, 95
Nicotinamide adenine dinucleotide (NAD),
328

SUBJECT INDEX
Nitrocefin hydrolysis, 116–122
catalyzed by [Zn2(BPAN) (m-OH)( m O2PPh2)](ClO4)2, 118f
catalyzed by [Zn2L3(m-OH)-(NO3)2] versus [Zn2L3(m-OD)(NO3)2], 121–122
pH-dependence of, 119f
N-p-nitrophenyl- L-leucine, 131f
Nuclear magnetic resonance (NMR) spectroscopy, 8, 16–18
wide bore probe head for HPNMR, 19f
OBISDIEN chelate ligand, 130f
Organometallic reactions, activation volumes for, interpretation and mechanistic
significance, 1–69
basic principles and theory, 1–5
conventional time-range reactions, 6–10
experimental, 5–22
general considerations, 5–6
mixing methods, 10–12
partial molar volumes from density measurements, 18
radiation-induced reactions, 12–16,
see also separate entry
range of values and correlation of DV#
with DS#, 18–21

rapid reactions, 10–12
relaxation methods, 12
safety considerations, 21–22
thermal organometallic reactions, volumes of activation for, 22–63 see also
separate entry
thermodynamic functions in, 1–3
Osmium cluster, addition to, 58–59
Oxazetidinylacetate adducts, 126f
Oxidative addition and reductive elimination reactions, 52–55
P. diminuta, 137
Penicillins, 112f
Penicillin G, 121, 125
peptide hydrolysis, 128–133
Gly–Gly hydrolysis, 130f
Phenanthroline-containing polyamine
macrocyclic ligand, 132f
Phosphate ester hydrolysis, 133–173
[(tapa)Zn(H2O)]2+ and [(tapa)Zn
(H2O)]2+, 149f
alkaline phosphatase catalysing, 134f


SUBJECT INDEX
bis(4-nitrophenyl) phosphate, 140
bis(4-nitrophenyl)phosphate catalyzed
hydrolysis, 164f
by bizinc crypt and complex, 135f
dianionic ICIMP and trianionic BCIMP
ligands, 162f
Htdmbpo and Hbdmbbppo ligands, 169f

involving an internal alkoxide nucleophile, reaction pathway, 141f
macrocyclic and linear polyamine ligands,
145f
phosphate diester and triester hydrolysis,
137–173
phosphate monoester hydrolysis, 133–137
phosphate triester hydrolysis reactivity of
[(TpR,Me)Zn–OH] compounds, 142f
tris(4-nitrophenyl) phosphate reaction,
143f
tris(pyrazolyl)borate-ligated zinc hydroxide complexes, 140
p-Nitrobenzaldehyde, 94
Polyamine macrocyclic ligand, 132f
Protein motions, correlated, 342–353
atomic description of relevant catalytic
motions, 344–347
concerted vs. stepwise transfers, 346
donor–acceptor axis and compression
reaction coordinate, 346–347
essential dynamics (ED), 347–353
experimental site-directed mutagenesis,
352–353
mobile residues in the active site, 350–352
substrate binding in PNP, 349–350
transition path sampling (TPS), 342–347
Proteins, dynamic and statistical phenomena in, 316
Proton transfer and rate-promoting vibrations, 317–328
Benderskii’s theory of promoting vibrations, 321–322
four objections to promoting vibrations,
326–328

Hynes’ theory of promoting vibrations,
320–326
promoting vibration and dephasing, 327
promoting vibration and turnover rate,
327–328
promoting vibrations, computational signature of, 325–326

397
promoting vibrations, experimental signature of, 326
protein dynamics, 326–327
ps-timescale motions, 328
quantum theory of proton transfer,
317–320
rate-promoting vibrations, 320–325
vibrations in condensed phase, theory of
promoting, 322–325
Pulse-radiolysis-induced reactions, 66–69
Pyrazolate-based chelate ligands, 158
binuclear zinc complex of, 161f

Pyridinium triflate, 122
Radiation-induced organometallic reactions, volumes of activation for, 63–69
carbon monoxide activation, 65
photo-induced homolysis reactions, 65
photo-induced reactions, 63–66
pulse-radiolysis-induced reactions,
66–69
radiation-induced reactions, 12–16
electrochemical methods, 16
high pressure electrochemical cell, 17f

photo-induced methods, 12–15
pulse radiolysis, 15–16
volumes of activation for, 63–69, see also
individual entry
Redox reactions, 50–52
S-adenosylmethionine, 268f
Shilov-type system, 49
S-methyldibenzothiophenium ion, 268f
SN2 reactions, transition states structure
determination, using kinetic isotope effects, 217–270, see also kinetic isotope
effects (KIEs)
enzyme catalysis effect on, 267–270
isotopically labeled atom transfer, in
transition state, 225–230
solvation rule for, 266
solvation rule for, 266
substituents, the solvent, ion pairing and
enzymes effect in, 251–270
theory and experimental results to model,
262–267
a-carbon KIEs measured for, 228t


398
Solvolysis, 27
Stenotrophomanas maltophilia, 113f
Stopped-flow (s.f.) methods, to kinetic
studies, 11
high pressure s.f. unit, 13f, 14f
Substituents, the solvent, ion pairing and

enzymes effect determination using KIEs,
251–270
changes at the a-carbon, 257–260
changing the leaving group, 251–254
changing the nucleophile, 254–255
effect of ion pairing of the nucleophile,
255–257
solvent effects, 260–262
Tetrahydrothiophene (THT), 44
Thermal organometallic reactions, volumes
of activation for, 22–63
addition reactions, 57–59, see also individual entry
CO binding reaction, 56f
cyclometallation in dirhodium(II) compounds, 62–63
dinuclear pallada- and platina-cycles,
monomerisation, 60–62
for arene–osmium compounds, 24
for dihydrogen–amine complexes of osmium, 24
isomerisation reactions, 49–50
ligand substitution, 26–49, see also individual entry
metal exchange in heterobimetallic compounds, 59–60
oxidative addition and reductive elimination reactions, 52–55
radiation-induced organometallic reactions, volumes of activation for, 63–69,
see also individual entry

SUBJECT INDEX
reactions of small molecules, 55–57
redox reactions, 50–52
solvent exchange, 23–26
Thermoanaerobacter brockii, 94

Thermolysin, 102
Time-Resolved Infrared (TRIR) spectroscopy, 15
Transition path sampling (TPS), 317,
342–347
Transition state theory (TST), 316
Triazacyclononane-containing ligands, 170
Tripodal tetradentate ligands, 147f, 148f
Unrestricted Hartee-Fock (UHF) calculation, 191
UV/visible spectrophotometry, 8
Zero-point energy (ZPE) factors, in SN2
reactions, 218, 226, 230, 232
Zinc-containing metalloenzymes, 79–173,
see also under Zn–OHn (n=1 or 2) species
Zn–OHn (n=1 or 2) species reactivity,
kinetic and mechanistic studies, 79–173
alcohol oxidation, 92–100, see also individual entry
amide hydrolysis, 100–133, see also individual entry
CO2 hydration, 83–92, see also individual
entry
divalent zinc and Zn–OHn species, properties, 80–81
four-coordinate Zn(II)–OH2 complexes,
81f
N4- and N3O-ligated Zn–OH2 complexes,
82
Zinc aqua (Zn–OH2) species, 80
Zn(II) in catalysis, roles for, 81–82
Zwanzig Hamiltonian equation, 320, 323