ud Sinh hoc _ Tdp 12, 56"4 /2007cAU TRUG ELEGTRoTTI GUn M9T so oAIrI XUAT 2,5-DIHYoRoXI AXETOPHENON AROYL HI€'RAZON L|EN QUAN OiN XXI rINruC cAy [.rc cHE Aru nrOru KrM LOAI Cul cHuNs
Trang 1HOl KHoA Hoc Kf THUAT pHnN TicH H0A, ri uA stitn Hoc utr NAM
T r c 1 2
I S S N 0 8 6 8 - 3 2 2 4
Trang 2!g!!i phd.n ttch I!9a, L! ud Sinh hoc _ Tdp 12, 56"4 /2007
cAU TRUG ELEGTRoTTI GUn M9T so oAIrI XUAT 2,5-DIHYoRoXI AXETOPHENON AROYL HI€'RAZON L|EN QUAN OiN XXI rINruC
cAy [.rc cHE Aru nrOru KrM LOAI Cul cHuNs " ' '!',
E A h b d s o a n 4 - 7 - 2 0 0 7 Phe* VAn Nhi€u, Vfi phtrong Li€n, Vfr Minh TAn Khm H6a hge, Dai hp Khoa hgc Tt nhiin - Dai hoc Qudc giq, Hd N,,i
SUMMARY ELECTRONIC STRUCTURE OF SONIE 2, 5-DIHYDROXY ACETOPHENONE AROYL
HYDRAZONE COMPOUNDS AND T'HEIR CORROSION INHIBITORS EFFTCENCY
Sotne 2,5-d'ihyd,roxy acetophenone aroyl hyd,razone compound,s
houe been stud,ied, by the inhibition of copper comosion in 3M nitric acid solution The structure of some 2,5-d,ihyd,roxy acetophenone aroyl hydrazone compound,s were optirnized by using the AM I method, and caculating by the zINDol method, of the quanturn chemical program Hyperchem 7.0
Results of the aboue calcuration is coord.inated with 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
An mon kim lo4i Ii sy ph6 hu! kim lo4i vd hqp
kim do t6c rlQng l! hori cria m6i trudng Sp En mon
d6 gdy ra thiQt hAi ro lon cho ndn kinh t6 thii gi6i [4,
5J N6 ldm mdt mdt mQt khiii lugng lor kim loqi,
nhrmg thi€t hAi cdn to ton hon do thi6t bi h6ng p;6y
ra bdi sp In mdn phi t6n cho vigc sfra chita, thay
thiS cdc thi6t b! h6ng cdn lon hon nhi€u lAn giri tr!
kim logi dirng d6 ch6 tpo ra chfng Dii g6p phAn
khdrc phpc thi€t hai do sy 6n mdn kim lo4i g6y ra
chring tdi ti6n tr{nh nghi€n cfu kh6 n6ng ric ch6 an
mon kim lo4i cia mgt si5 din xudt 2,S-dihyclroxi
axetophenon aroyl h idrazon
II PHUONG PHAP NGHIEN CUU
Nghi€n criu sg 6n mdn kim logi Cu trong m6i
trudng axit HNO3 3M vdi chdt ric chti ta m6t s6 aiin
32
xudt 2,S-dihytlroxi axetophenon aroyl hidrazon c6 ndng d6 l0-5M
Cdn cri vdo c6u tnic crja c6c hgp ch6t vd co sd cia phuong phdp brin lugng tti chring t6i tli chOn ttii uu hori hinh hgc bing phuong pfrep nV f vd tinh cric th6ng sri lugng tri bing phuong ph6p ZINDOT trong phdn mdm HyperChem 7.0[5J dd tinh toan cho mQt sO Oin xu6t 2,s-dihydroxi axetophenon aroyl hidrazon (goi tit ld hidrazon)
C6c th6ng s6 thu rtugc tir rfnh toiln k6t hgp vdi hiQ.u sudt r?c ch6 (P) thyc nghiQm ctuqc dua vio phAn mAm Statgraphic 5.0 dti thpc hign ph6p h6i qui da bi6n
ril KET QUA VA THAO LUAr.r Cdc phin tt hidrazon md chring t6i ti6n hdnh
tinh torin bao g6m:
Trang 3tri Zorc=ctzN (-NH-) Z1{(C=N-) P(e6)
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 5 1 , 9
4 -0,456 -0,148 -0,122 65,4
5 -0,400 -0,163 - 0 , 1 1 4 '64;9
6 -0,127 -0,129 -0,137 70,6
7 -0,399 - 0 , 1 5 4 4,121 76,t8
8 -0,399 -0, I 53 -0,122 72,r5
9 -0,400 - 0 , 1 6 3 - 0 , 1 l 4 84,i2
l 0 - 0 , 4 1 0 - 0 , l 5 g - 0 , 1 l 6 88,:i
l l - 0 , 1 2 9 -0,129 -0,132 68,it
l 2 -0,394 - 0 , 1 5 4 - 0 , 1 l 4 88,2;
t3 -0,397 -0, I 53 -0,1 I g 67,41
t 4 -0,409 -0,157 - 0 , 1 I r 86,3r
t 5 -0,400 -0, 163 - 0 , l 0 g 82,2:,
t 6 -0,456 - 0 , 1 4 9 -0,117 76,'7
l 7 -0,413 -0, r 58 -0,1 r I 89,5
l 8 -0,419 - 0 , 1 5 9 -0,1 I I 90,5
l 9 -0,403 -0,157 -0,112 8 1 , 7
20 - 0 , 4 1 0 -0, r 58 - 0 , 1 I I 8 3 , I
Bdng 2 Mdt d0 ili€n ttch tr€n cdc nguy€n tci
Trong d6; Zo p=ct, Zy r_ug-t, ZN rr.=u) ld mdt d0 iliQn t,ich
tr?n nguydn ft O vd N o cdc vi tri tuong ung
P(n h hiQu suh tc chi dn mdn theo phuo,ng
phdp iliQn hod
Theo ciic tdi liQu [l], [2], [3] ta th6y, trong s5 ciic
th6ng s6 c6u trfc cria c6c hidrazon tr6n thi c6c th6ng
s6 Erqr6, Elur,ao, mdt ctO electron tr€n c6c tAm hrip
phu (-NH-, =N-; -OH) 6nh huong nhiAu d6n hiilu
sudt ric chtian mon Cu trong axit HNO3 3M
Tr€n co sd c6c ktit qua tfnh toiln lj thuyiSt bing
phAn mdm HyperChem [6] vd circ giltri hiQu surAi
bio vp thpi nghi€m (p;, ki5t hqp v6i phAn mdm
Statgraphic 5.0 thr.rc hi€n phdp h6i qui da biiin dli3
tim m6i Ii€n hg giira c6u tr0c vd khi ndng fc ch6 an mdn cia c6c hidrazon
Phuong trinh h6i qui c6 d4ng:
P , - = F '
L K u x , + c o n s t Trong d6: P11: hiQu suSt tic ch6 dn mdn theo li
thuy6t
k": hQ sO trOi qui cria phuong trinh; xn: c6c yiiu ti5 hdi 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
- 7 2 2 , 2 7 * Z c N
0 )
R 2 = 0.875 Bdng 3 P7p vd P1.7,tinh theo phuong trinh (l) Phdn
tri Nh6m PrN Pr-r
I
5 5 , 9 5 3 , I
6
I I
70,6 80,6
7 6 , 8 8 5 , 8
l l 68,5 66,0
l 2 8 8 , 4 7 1 , 7
l 3
I I I
6 7 , 4 6 1 , 7
l 4 86,3 9 5 , 0
I 9 8 1 , 7 7 6 , 3
20 83, r 7 8 , 8
Trang 4I I
76,9 76,5
il
I I I
68,5 67,5
l 4 86,3 87,7
l 6 7 6 , 7 78,3
l 8 90,5 86,4
5 HiQu su6t fc chti phg thuQc vdo 7 y6u t6:
EHovo, Eluuo, V, F, ZcN, Z*t Zoc
P = 106, 16 + 38,65*EHoMo - 5,76*E1uln16
-0,25*V + 1,52*p + 1082,86*Zslr -51,4g*ZNH
-313,30*Zss (s)
R ' = 0 9 5 3 8
Bdng 7 P7y vd P1;7 tinh theo phuong trinh (5.)
l 9 81,7 77,3
20 8 3 , I 8 r, 0 Tir cdc k6t qud tr€n cho thSy:
D{c di€m c6u tqo cta c6c d5n su6t 2,5-rfihyrlroxi axetophenon aroyl hytlrazon c6 inh huong nhidu
<liin khd ndng ftc ch6 an mon kim lo4i Cu rrong m6i truong axit HNO3 3M
C6c thdng s6 nhu S, V, Es, 81o1"1 vd p it dnh hudng cttin hiQu su6t tic chti an mdn, ngugc I4i cric thdng sti nhu ELUye, EHovo, mit ttQ diQn tich tr€n c6c trung tdm h6p php (-NH-, =N-, -OH) Anh huong nhi€u d6n khd n[ng r?c chi5 c0a ciic hidrazon
Khi ph6n tich k6t qu6 phdp h6i qui d6 chi ra ring cdng nhidu y6u tii thi cho k6t qun cdng siir vdi thgc nghiQm.Phuong trinh h6i qui (5) cho k6t qu6 gAn vdi thgc nghiQm nhdt (R2=0,9538)
Nhfng kiit qui niy s€ girip ta giAi thich tluoc khA ning fc ch6 6n mdn khiic nhau cfa ciic hidrazon vd dr,r dodn khi ndng ric ch6 dn mon cia ciic hydrazon chua ilugc nghi€n cfu
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 axetophenon aroyl hvdrazon
c-N-NH "-,-H'.
Phdn tri Nh6m Prp Plr
I
I
5 5 , 9 57,2
2 5 6 , 8 5 8 , 3
J 5 l , 9 5 2 , 1
6
I I
70,6 70,5
7 7 6 , 8 78,0
r0 88,5 88,4
l l
I I I
68,5 67,2
l 3 67,4 66,8
1 4 86,3 E6,g
l 5 82,2 82,3
3 6
Trang 5Hil
It il
tlrl
rf,1
!) l
f i r l
,$1
t i
$i
r ! i
cdp him luong <ppm Tt kdt qui niy cdn luu f
rirng khi phAn tfch Co trong miu trii eiy sdy kh6
cdn srl dgng cic biQn ph6p dd tang dQ nh4y nhu:
tnng kh6i ltrgng m6u chidu, tlng thdi gian'clridu,
cho.n chddQ 16 tdi rru, ting thdi gian do phd,.'
2 Him luqng cria trlng nguy6n td tlong
cing mQt loqi m6u kh6ng kh6c nhau nhidru c6
thC do mrlc dQ trldi cfra m6u thu th$p c6 l'rh6c
nhau HAm lrr-o.ng cua 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
xft luAN
Quy trinh phdn tfch Fe, Co vA' Zn tr6n ddy
c6 nhfrng rru didrn ndi U4t nhrr ld: dQ chfnh xic
vn gi6i hen ph6t hiQn cao, quy trinh t\rp ,hiQn
kh6 don giin vi cho ph6p 6p dqng r0ng rlii dE
phin tfch d?i tri henb lo4t mf,u cing hic Ddng
ihdi, fittg itri.tt ttgp cho ph6n tfch cic m6u
sinh hgc O nCn xenlulozd mi c6c chd-dQ chidu,
do vd xrl lf sd liQu kh6ng c6 sg thav adi aang kd
nio, ngoqi trrl cich chudn bi miu
ru uflu rHAr'I KIIAO
t1l MAIHARA, V.A.,VACONCELLOS, M'13'A.'
Determination of Trae Elements in
Brazilian rice grains and biological materials by NAA, J Radioanal Chem Articles 132 2 329,(1989)
[2].MAIHARA, V.A.,VACONCELLOS, M.B.A.,
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 le,hodng Na, K, Cu, Co, Mn, Ca, Mg, Fe, P
vd Zn) trong rnQt sd lgai trtii cd'y d\c sd'n Vi.Qt Nam (chu61, com, thanh long, nhdn, xod,i ) 86o c6o tdng kdt d6' tii nghiOn crlu khoa hsc (2006)
t5l Vir C6ng H{u: Tr6ng cdy d'n qud' & Vi/t Nan NXB Ndng nghiQP, Hh NQi, (1996) [6] Trdn Thd Tgc (chfr bi€n)' Gid'o trinh cd'v d.n qud NXB N6ng nghiQp, (1996)'
[7] Vien Thd nhrrdng N6ng h6a: 56" tPy phdn tich d.cft, ntdc, phdn b6n ud ctiy fr6ng NXB N6ng nghiQp (1998)
cAu rnOc ELECTRoN .(tiap theo tr 37)
P = 106,16 + 38,65*EnoMo - 5,76*E1u1ae +
0,25tV + 1,52*p + 1082,86*Zgx -51,48*,LNH
-3l3,30rZoc (5)
R2 = 0,9538
K6t qui cho th6y:
C6c y6u tO intr huong nhdt C6n khi nrng f'c ch6
6n mdn cta c6c hydrazon lA: Esev6, ELuno vii mflt
d0 rliQn tich f€n nguyOn trlN vd O
Cric k6t qui thu tlugc I tr6n c0ng ld co sd tin
ciy tllnh hudng cho vi$c t6ng hgrp c6c hidrazrn c6
hi€u su6t uc ch6 dn mdn kim loai cao trong; m6i
tru&ng axit
' ril UEU THAM KHAO
l Pham V[n Nhi€u,Vfr Minh TAn, Nguy6n Minh
Thito, Tgp chi Phdn tich Hod, Li'vd Sinh Hpc,
T.9, 56 2,Tr.42 (2004)
60
2 Phpm Vf,n Nhi€u, V0 Hirng Sinh, V0 Phuong Li€n, Tgp chi Phdn tich Hod, Li' vd Sinh hpc,T9' Tr.24(2004)
3 Pham Vin Nhi€u, Ldm Ngqc ThiBm, Vfr Phuong LiEn,Tsp chi khoa hpc, D1i hqc Qu6c gia Hd
NOi, T.22, sti 3C-At,Tr.l4 l(2006)
4 A.S Fouda M.M Gouda, S.l.Abd El-Rahman.Bull, Korea Chem Soc', Vol'21, No.ll,l085 (2000)
5 Keio.University.Hiyoshy.Yokohama Japan. Adsorption mechanism of organic conosion inhibitor (2002)
6 HyPerChem Release 7.0 for Window, Molecular Model ing sys t em, Hypercul e In c (2002)'
Trang 6HQr xnxr pnAru ricu H6A, r-V vA stNH Hgc vlf;r NAM
rRp cHi pHAr.r ricn H6n, Lv vA srNH Hgc - TAp 12, sei+lzobi-'
MUC LUC
CONTENTS
1' Nghien crlu vi chd tao thir nghi€m ming loc c6 tfnh s6t khudn cao sil dung trong xrl lf
nudc sinh hoat h6 gia di.h tr} compozit pollyuretan/nand bac
Study and preparation of antiseptic filter film based on polyurethane/nanosilver
composite for water treatment
Hod,ng Anh 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 microextracstion combined with GC/FID and
GC/I4S for determination of the BTEX group aromati'c hydrocacbons in the air
Nguydn Etc HuQ, Trdn Manh Tri
3 Di6'u chd nano oxyt sft tr) FerOu
hriy nhi€t bingg phddng ph6p ddng kdt tria vd phuong ph6p phdn
Preparation of nanosized magnetite using coprecipitation and thermal decomposition methods
Phan Thi Ngoc tBich, Nguydn thi Kim Thanh, phq,m ud,n Ldm 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
Nguy4n Dinh Bdng, Nguydn Thi Di€u Cdm hQp t6c h6a ph6ng xa dC x6c dinh hoqr d6ng
A developed method for the determination of %Ra activity in sea water samples by using
alpha spectrometry with radiochemical separation
A,,r, hua,,g cria phrlc nd,
",rr"(il;;i:#:,::r{:?:t:;::{":i::'I":n*rff;::;:^^r
sudt lqc
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 Cau truc electron cria mQt s6'dAn xudt 2,5-Dirlydroxi axetophenon aroyl hidrazon li6n quan
ddn khd ning gAy irc ch6 In mdn kim lo4i cria chring
Electronic structure of some 2,5-Dihydroxy acetophenone aroyl hydrazone compounds and
their corrosion inhibitors effrcency
Pham Vdn Nhi€u, Vu phuong LiAn, Vil Minh Tdn
MO ph6ng qu6 trinh suy giim oxy trong m6i trrrdng nudc
Digital simulation of oxygen consumption in water environment,
Trang
5 Phet tridn phrronC ph6p phd Alpha t<dt
22oRa
trong nrrdc bidn
1 A
a :
1 8
24
28
32 7,
8
LA Quci:c Hilng, Le Thi Vinh Hanh, tlrt Thi Thu Hd
3B