DSpace at VNU: Cấu trúc electron của một số dẫn xuất 2,5 đihyđroxi axetophenon aroyl hiđrazon liên quan đến khả năng gây ức chế ăn mòn kim loại của chúng

pHnN
KHoA
HocKfTHUAT
HOl
TicHH0A,
ri uAstitnHocutr NAM
VIETNAM
ANAT.YTICAL
SCIENCES
SOCIEW
ISSN .0868 - 3224

Trc12


!g!!i

phd.nttch I!9a, L! ud Sinh hoc _ Tdp 12, 56"4
/2007

cAU TRUGELEGTRoTTI
GUnM9T so oAIrIXUAT2,5-DIHYoRoXI
AXETOPHENON
AROYLHI€'RAZON
L|ENQUANOiN XXI
rINruC
" ' '!',

cAy[.rccHEArunrOru
KrMLOAI
Cul cHuNs

EAhbdsoan4-7-2007

Phe* VAn Nhi€u, Vfi phtrong Li€n, Vfr Minh
TAn
Khm H6a hge,Dai hp Khoa hgc Tt nhiin - Dai hoc
Qudcgiq,Hd N,,i
SUMMARY
ELECTRONICSTRUCTUREOF SONIE2,5-DIHYDROXY
ACETOPHENONEAROYL
HYDRAZONECOMPOUNDSAND T'HEIRCORROSION
INHIBITORSEFFTCENCY
Sotne2,5-d'ihyd,roxyacetophenonearoyl hyd,razonecompound,s
houe been stud,ied,by the
inhibition of copper comosionin 3M nitric acid solution.
The structure of some2,5-d,ihyd,roxy
acetophenonearoyl hydrazone compound,swere optirnized
by using the AM I method,and
caculatingby the zINDol method,of the quanturnchemicalprogram
Hyperchem 7.0.
Resultsof the abouecalcurationis coord.inatedwith inhibition
efficiency(p) that is d,eterrnined,
by erperirnentation and both are applied' to statgraphics
6.0 software to carry out linear
regression.

r.ud oAu

xudt 2,S-dihytlroxi
axetophenon
aroylhidrazonc6

An monkim lo4iIi sy ph6hu! kim lo4ivd hqp ndngd6 l0-5M.
kim do t6crlQngl! horicria m6itrudng.SpEnmon
Cdncri vdoc6utnic crjac6chgpch6tvd co sd
d6gdyra thiQthAiro lon chondnkinht6 thiigi6i
[4, cia phuongphdpbrinlugngtti chringt6i tli chOn
5J . N6 ldmmdtmdt mQtkhiii lugnglor kim loqi, ttii uu hori
hinhhgcbing phuongpfrepnV f vdtinh
nhrmgthi€thAicdnto ton hondo thi6tbi h6ngp;6y cricth6ng
sri lugngtri bing phuongph6pZINDOT
ra bdi sp In mdn.phi t6n cho vigcsfrachita,thay trong phdnmdm
HyperChem7.0[5Jdd tinh toan
thiScdcthi6tb! h6ngcdn lon hon nhi€ulAngiri tr! cho mQtsO Oin
xu6t 2,s-dihydroxiaxetophenon
kim logi dirngd6 ch6 tpo ra chfng. Dii g6p phAn aroylhidrazon.
(goitit ld hidrazon).
khdrcphpcthi€thai do sy 6n mdn kim lo4i g6y ra
C6cth6ngs6 thu rtugctir rfnh toiln k6t hgp vdi
chringtdi ti6n tr{nh nghi€ncfu kh6n6ngric ch6an
hiQ.usudtr?cch6 (P) thyc nghiQmctuqcdua vio
mon kim lo4i cia mgt si5din xudt 2,S-dihyclroxi
phAnmAmStatgraphic
5.0 dti thpc hignph6ph6i
axetophenon
aroylhidrazon.
quidabi6n.
II. PHUONGPHAPNGHIENCUU
ril. KET QUA VA THAO LUAr.r
Nghi€ncriu sg 6n mdn kim logi Cu trongm6i
Cdc phin tt hidrazonmd chringt6i ti6n hdnh
trudngaxit HNO33M vdi chdtric chtita m6ts6aiin

tinh torin bao g6m:
32


Bdng2. Mdt d0 ili€n ttchtr€ncdcnguy€ntci
PhAn
tri

Zorc=ct zN(-NH-) Z1{(C=N-) P(e6)

tim m6i Ii€n hg giira c6utr0c vd khi ndngfc ch6an
mdn cia c6c hidrazon
Phuongtrinh h6i qui c6 d4ng:
P , - =F '
LKux, + const

I

-0,127

-0,129

-0,137

55.,9

2

-0,397

-0,I 55

-0,122

56,,9

J

-0,397 -0,I 54

-0,123

51,9

4

-0,456

-0,148

-0,122

65,4

5

-0,400

-0,163

- 0 , 11 4

'64;9

6

-0,127

-0,129

-0,137

70,6

7

-0,399

-0,154

76,t8

8

-0,399

72,r5

9

-0,400

-0,I 53
-0,163

4,121
-0,122
- 0 , 1l 4

84,i2

l0

-0,410 -0,l5g

- 0 , 1l 6

88,:i

ll

-0 ,1 2 9 -0,129

-0,132

68,it

l2

-0,394

-0,154

- 0 , 1l 4

88,2;

t3

-0,397

-0,1I g

67,41

t4

-0,409

-0,I 53
-0,157

- 0 , 1rI

86,3r

t5

-0,400

-0,l0g

82,2:,

2

t6

-0,456

-0,163
-0,149

-0,117

76,'7

J

l7

-0,413

-0,r58

-0,1r I

89,5

4

l8

-0,419

-0,159

90,5

l9

-0,403

-0,157

-0,1I I
-0,112

20

-0,410

-0,r 58

81,7

-0,1I I
8 3 ,I
Trongd6; Zo p=ct,Zy r_ug-t,
ZN rr.=u)ld mdt d0 iliQnt,ich

tr?nnguydnft O vd N o cdcvi tri tuongung.
P(n h hiQusuh tc chi dn mdntheophuo,ng
phdpiliQnhod.

Trong d6: P11:hiQusuSt tic ch6 dn mdn theo li
thuy6t.
k": hQ sO trOi qui cria phuong trinh;
xn: c6cyiiu ti5hdi qui
l. HiQu sudt r?c ch6 php thuQc vdo 7 ylu t(;:
ELuMo,Euouo,S, p, Ee, ZNu,ZcN
P :

-280,43 - 9,91*Eruvo+86,22*EHsys
+
0,64*5 + 2,84*rt4,024*EB_ 3, I 5*Zyg
-722,27*ZcN.

0)

R2= 0.875
Bdng 3. P7pvd P1.7,tinhtheophuong trinh (l)
Phdn
tri

Nh6m

PrN

Pr-r

55,9

5 3 ,I

56,8

46,7

51,9

42,2

65,4

52,4

5

64,9

51,2

6

70,6

80,6

76,8

85,8

8

I

II

72,6

9

84,2

87,4

l0

89,5

85,7

ll

68,5

66,0

l2
l3

88,4

71,7

67,4

61,7

l4

86,3

95,0

82,2

87,3

Theociic tdi liQu[l], [2], [3] ta th6y,trongs5 ciic
th6ng s6 c6u trfc cria c6c hidrazontr6n thi c6cth6ng
s6 Erqr6, Elur,ao,mdt ctOelectrontr€n c6c tAm hrip
phu (-NH-, =N-; -OH) 6nh huong nhiAu d6n hiilu

l5

sudtric chtianmon Cu trongaxit HNO33M.

l6

76,7

65,4

Tr€n co sd c6c ktit qua tfnh toiln lj thuyiStbing
phAnmdm HyperChem[6] vd circ giltri hiQusurAi

t7
l8

89,5
90,5

88,0
95,5

I9

81,7

76,3

20

83,r

78,8

bio vp thpi nghi€m (p;, ki5t hqp v6i phAn mdm
Statgraphic5.0 thr.rchi€n phdp h6i qui da biiin dli3

J.l

III


7

76,9

76,5

16

76,7

87,3

72,6

71,5

t7

89,5

9

84,2

80,4

l8

90,5

l0

86,8
90,3

88,5

85,8

l9

81,7

77,3

il

67,5
77,6

20

8 3 ,I

t2

68,5
88,4

8r , 0

l3

67,4

67,9

l4

86,3

87,7

82,2

82,0

l6

76,7

78,3

t7

89,5

85,4

l8

90,5

86,4

t9

Et,7

79,3

20

8 3 I,

77,0

II

I

III

t5

5. HiQusu6tfc chti phg thuQcvdo

y6u

Tir cdck6tqudtr€nchothSy:
D{c di€mc6utqocta c6cd5nsu6t2,5-rfihyrlroxi
axetophenon
aroyl hytlrazonc6 inh huongnhidu
truongaxit HNO33M.
C6c thdng s6 nhu S, V, Es, 81o1"1
vd p it dnh
hudng cttinhiQusu6t tic chti an mdn, ngugc I4i cric
thdng sti nhu ELUye,EHovo,mit ttQdiQntich tr€n
c6ctrungtdm h6p php (-NH-, =N-, -OH) Anhhuong

7
t6: nhi€ud6nkhd n[ng r?cchi5c0aciic hidrazon.
EHovo,Eluuo, V, F, ZcN,Z*t Zoc.
Khi ph6n tich k6t qu6 phdp h6i qui d6 chi ra
- 5,76*E1uln16
P = 106,16 + 38,65*EHoMo
ring cdngnhiduy6u tii thi cho k6t qun cdngsiir vdi
0,25*V + 1,52*p + 1082,86*Zslr
-51,4g*ZNH
thgc nghiQm.Phuong
trinh h6i qui (5) cho k6t qu6
313,30*Zss
(s)

gAnvdi thgc nghiQmnhdt(R2=0,9538).
R'= 0.9538

Bdng 7.P7yvd P1;7tinh theophuongtrinh (5.)
Phdntri

Nh6m

Prp

Plr

55,9

57,2

56,8

58,3

5l,9

52,1

4

65,4

66,6

5

64,9

66,1

6

70,6

70,5

7

76,8

78,0

72,6

r0

84,2
88,5

71,9
83,6
88,4

ll

68,5

67,2

l2

88,4

77,2

l3

67,4

66,8

14

86,3

E6,g

82,2

82,3

I

2

J

8

I

II

9

l5

36

III

Nhfng kiit qui niy s€ girip ta giAi thich tluoc
khA ning fc ch6 6n mdn khiic nhau cfa ciic
hidrazonvd dr,rdodn khi ndng ric ch6 dn mon cia
ciic hydrazonchuailugc nghi€ncfu.
3.2. GiAi thich khii nlng rtc ch6 in mdn kim
lo4i Cu trong mdi trudmg HNO3 3M ciia din
xudt hidrazon
a. Ngogi suy hi(u sutir rtc chd an mdn kim loai
Cu trong m6i truong HNOs 3M cua mil s6 ddn
xudt khdc cia loai hqp chih axetophenonaroyl
hvdrazon.

c-N-NH--"-,-H'.

3",

I 6)\-5


cdp him luong rirng khi phAn tfch Co trong miu trii eiy sdy kh6
cdn srl dgng cic biQn ph6p dd tang dQnh4y nhu:
tnng kh6i ltrgng m6u chidu, tlng thdi gian'clridu,
cho.nchddQ16 tdi rru, ting thdi gian do phd,.'.

f,l,l

2. Him luqng cria trlng nguy6n td tlong
cing mQt loqi m6u kh6ng kh6c nhau nhidru c6
thC do mrlc dQ trldi cfra m6u thu th$p c6 l'rh6c
nhau. HAm lrr-o.ngcua pilpg Rguy€n tdtrong cic
logi m[u c6 khi hon k6m nhau vAi ldn. C6 thd
diy lt cic d{c trung vC chdt (mr}i, vi,..') ctra
tilng loqi tr6i cdy. Ndu thgc hiQn phdn tfch
nhidu mfiu dd c6 nhiCu sdligu nrand tfnh ttrdng
kG cao chdng ta c6 thd tim drrqc nguy€n td hay
hh6m nguy6n tdchi thi ti6ng.

Brazilian rice grains and biological
materials by NAA, J. Radioanal. Chem.
Articles 132 2 329,(1989).

M.B.A.,
V.A.,VACONCELLOS,

[2].MAIHARA,
Application of N.M to determination of
Trace Elements in Brazilian Foodstuffs.
Annals of the II General Congless of
Nuclear Energy, Rio de Janeiro, Brasil,
April (1988).

[3].Nguyen Van Minh: Neutron Activation
Analysis at tfu Dalot Nuclear Research
Redctor. Report on the Workshop on the
Utilization of Research Reactors, Nov. 20 24, Taejon, Korea, (2000).
[a]. Nguy6n Vdn Minh: NghiAn ctu dp dltng
cdc phuong phdp phd'n tich kich hoqt
ndtriln ud,hd trE d2'khdo sdt hdm luqng ui
xft luAN
le,hodngNa, K, Cu, Co, Mn, Ca, Mg, Fe, P
Quy trinh phdn tfch Fe, Co vA'Zn tr6n ddy
vd Zn) trong rnQt sd lgai trtii cd'y d\c sd'n
c6 nhfrngrru didrn ndi U4t nhrr ld: dQchfnh xic
Vi.Qt Nam (chu61, com, thanh long, nhdn,
vn gi6i hen ph6t hiQncao,quy trinh t\rp ,hiQn
xod,i). 86o c6o tdng kdt d6' tii nghiOn crlu
dE
rlii
kh6 don giin vi cho ph6p 6p dqng r0ng
hsc (2006).
khoa
Ddng
phin tfch d?i tri henb lo4t mf,u cing hic.
m6u

ihdi, .fittg itri.tt ttgp cho ph6n tfch cic
t5l. Vir C6ng H{u: Tr6ng cdy d'n qud' & Vi/t
Nan. NXB Ndng nghiQP,Hh NQi, (1996).
sinh hgc .O nCnxenlulozdmi c6c chd-dQchidu,
kd
aang
adi
do vd xrl lf sd liQukh6ng c6 sg thav
[6]. Trdn Thd Tgc (chfr bi€n)' Gid'o trinh cd'vd.n
nio, ngoqitrrl cich chudnbi miu.
qud. NXB N6ng nghiQp,(1996)'
ru uflu rHAr'IKIIAO
[7]. Vien Thd nhrrdng N6ng h6a: 56" tPy phdn
tich d.cft,ntdc, phdn b6n ud ctiy fr6ng. NXB
M'13'A.'
V.A.,VACONCELLOS,
. t1l.MAIHARA,
N6ng nghiQp(1998).
Elements in
Determination of Trae

Hil
Itil

tlrl
rf,1
,$1
!) .l
firl

ti

$i

r!i

cAu rnOc ELECTRoN...(tiaptheotr. 37)
- 5,76*E1u1ae
+ 2. Phpm Vf,n Nhi€u, V0 Hirng Sinh, V0 Phuong
P = 106,16+ 38,65*EnoMo
-51,48*,LNH
0,25tV + 1,52*p+ 1082,86*Zgx
Li€n, Tgp chi Phdn tich Hod, Li' vd Sinh hpc,T9'
(5)
3l3,30rZoc
Tr.24(2004).
R2= 0,9538
K6t qui choth6y:
C6cy6utOintr huongnhdtC6nkhi nrng f'c ch6
6n mdncta c6chydrazonlA: Esev6, ELunovii mflt
trlN vd O.
d0 rliQntich f€n nguyOn
Cric k6t qui thu tlugc I tr6n c0ng ld co sd tin
ciy tllnh hudngcho vi$c t6ng hgrpc6chidrazrnc6
hi€u su6tuc ch6 dn mdn kim loai caotrong;m6i
tru&ngaxit.
'
ril UEU THAMKHAO
l. PhamV[n Nhi€u,VfrMinh TAn,Nguy6nMinh
Thito,Tgpchi Phdntich Hod, Li'vd SinhHpc,

T.9,56 2,Tr.42(2004).

3. PhamVin Nhi€u, Ldm Ngqc ThiBm,Vfr Phuong
LiEn,Tsp chi khoa hpc, D1i hqc Qu6c gia Hd

NOi,T.22,sti3C-At,Tr.l4l(2006).
4. A.S. Fouda M.M. Gouda, S.l.Abd ElRahman.Bull,Korea Chem. Soc', Vol'21,
No.ll,l085(2000).
Japan.
5. Keio.University.Hiyoshy.Yokohama
Adsorptionmechanismof organic conosion
inhibitor(2002).
7.0for Window,Molecular
Release
6. HyPerChem
e.Inc (2002)'
Modeling system,Hypercul

60

'r:"ti$o**l,{.idwfs3'*s6&n6#:,


HQrxnxr pnAruricu H6A,r-VvA stNHHgcvlf;r NAM

rRpcHipHAr.r
ricn H6n,LvvAsrNHHgc- TAp12,sei+lzobi-'
MUCLUC
CONTENTS

Trang

1' Nghiencrlu vi chd tao thir nghi€mming loc c6 tfnh s6t khudn caosil dung
trong xrl lf
nudcsinh hoat h6 gia di.h tr} compozitpollyuretan/nand
bac
Study and preparationof antisepticfilter film based on polyurethane/nanosilver
compositefor water treatment
Hod,ngAnh Son, VA Thdnh phong, Trdn Anh Tudn
2' Nghi6n crlu phuong ph6p vi chi61 ming im r6ng k6't hqp v6i sdc ki
khf GC/FID vi
cG/I\4s x6c dinh cic Hidrocabon thom nh6m BTEX trong kh6ng khf
Study on the method of hollow needle film microextracstioncombined with
GC/FID and
GC/I4S for determination of the BTEX group aromati'chydrocacbonsin
the air
Nguydn Etc HuQ, Trdn Manh Tri
3. Di6'u chd nano oxyt sft tr) FerOubingg phddngph6p ddng kdt tria vd phuong
ph6p phdn
hriy nhi€t

1 A
a:

Preparation of nanosizedmagnetite using coprecipitationand thermal
decomposition
methods
Phan Thi Ngoc tBich,Nguydn thi Kim Thanh, phq,m ud,nLdm
4' Nghidn crlu inh hrrdng cria d0 mu6'i l6n khi ndng xfi If amoni
cria vi sinh vat ddi v6i nrJ6c

nu6i trdng thriy sin
Effect of salinity on amnnonium breated capacity by microorganisms
for aquacultural
water

18

Nguy4nDinh Bdng, NguydnThi Di€u Cdm

5. Phet tridn phrronC ph6p phd Alpha t

xa dCx6c dinh hoqr d6ng
22oRatrong
nrrdc bidn
A developedmethod for the determination of %Ra activity
in sea water samples by using
alpha spectrometry with radiochemical separation

24

A,,r,
hua,,g
phrlc
cria
.nd,
sudt lqc
",rr"(il;;i:#:,::r{:?:t:;::{":i::'I":n*rff;::;:^^r 28

Influence of the complex H3[La(T!p)BN0JJ.SHro to some
elements of peanut's productivity
and growth

L€ Httu Thidng, Nguydn Lam Di6n, chu Mqnh Nhtong, u rhi phuqng

7, Cau truc electron cria mQt s6'dAn xudt 2,5-Dirlydroxi axetophenon
aroyl hidrazon li6n quan

32

Pham Vdn Nhi€u, Vu phuong LiAn, Vil Minh Tdn
8 . MO ph6ng qu6 trinh suy giim oxy trong m6i trrrdng nudc
Digital simulation of oxygenconsumptionin water environment,

3B

ddn khd ning gAy irc ch6 In mdn kim lo4i cria chring
Electronic structure of some 2,5-Dihydroxy acetophenone
aroyl hydrazone compoundsand
their corrosioninhibitors effrcency

LA Quci:c
Hilng, Le Thi Vinh Hanh, tlrt Thi Thu Hd