’ E : ” 3 cd# fg
#C ! ! F ” ’ ; . cd# O3 $ M 8 9 ?
+d# fg 2 O( ! .2#! u O | M ? ! 6 :!; ’ cd# F ” ’ %C V % ’ ” !” 2 E! d +’ H’! f ‘ lM ” F ” ’ EK?! ! !” $% &’ ( ! ” # ” ’ 3 !”
! 3G v $ $ ’ C24-H34-Co-N4-O6-Cl
.2#! (

6!(+4- ( 70
.2#! !gAP? ” 5 ! !” 2 &. ’ ! &’ 3 $4. 3 D4#” V ’
” F ” ’ ? 45 # O>E }6 ( ! ” O( !
! 3″ 4#! O B3LYP PM3 O AM1 ~ d#
O6-311G O 6-31G ” ! 4#! E$ 6 $ I’ O: &? H +? : 6-311++G** 6-311G** ( ! . ” $ Intel® Core™ i7 ! 3″ 4#!
’ 4! 8 9# +’ E= ( ?”6 ! E=
.[11] 2#! ” 5 ! !” 8! A! # ! ! O ? ( ! $ 45 # :” C 2# ! 6 g6#C ! &’ $I 4 ” :C 4 %! 4. ! Es5 O #! ’ E 8< M ! “
>9dG O(∆E HLG) b ! k : z E
= !; 4 V ” $9# +’ EV % ’ 4 %! g6
.2#! 3
F ” ’ b ! O( N KE V ( ! ” ( ?- b ! O HF . -? E = ! 3″ 4#!
b ! EHOMO (eV) 3 6 %% ’ V 4!
: 4 %! ! % 5 %% ’ V 4! ( ?( 6
! $ – E = ! 3 ’C 2# ELUMO (eV)
= !; O [email protected] ’ 4! E 4’! 6 ( ?”6
O LUMO HOMO EV 4 ! . ! 3
H’! ! ’ 3 ’ ; ’ E V 4 ! E $ V % ’ > K E D DN 3 ( ?
$ ! ? ’ $ 2#! % 4 ! HOMO . ’ k! J! V 4 ! ( ? 5 ! H : 4 %! 3 E” :!
% ? $ I ’ :C ! : 4 %! 5 2#! : 4 %! ! !” K &[email protected]’ $ $ V 4 ! ( ! b ! ” ’ : ?
2#! % 4 ! ; LUMO .” !” $d! > H @ 46 ” ! H : 4 %! 3 :! $ ! ?’ $ b ! ! &’ ( ?K O % 5 E V 4 ! : ’ ” ! ! % 5 : ’ ” !” ! V 4 ! ( ? ! 6 b ! ” C ’ KE! . : C % ? E : 4 %! :C w Princeton Applied Research $# , # ’ = = . ’ 2273 Parstat O, ?<6 3 ” 4 %! :C ” $ ’ ” 4 %! “- . : E 3 ” 4 %! Ag/AgClp ’ ” 4 %! > 6 ” 4 %! $J ‘ : ’ 8 ’ .2#! F ” ’ 6 2% M $ : # F $& G” 10 > ’ C w ! x : #!; <6 8 % d’ .2#! 3 $4. F ” $ -250 ! H @ 46 $ ’!” $ A 2% ’ 1 ( #!
-100 ? 2B Ocp [email protected] $ +1250 ? Ocp [email protected]
. ’ Ocp [email protected] $
!” : ’ ! O3 !” ! 2F ‘ E !
. C ’ 2#

+d# 6

142810-35872

(1)

(2)

:” ;.! : ” 5 : $4 @!”

$
.[10]2#! 3 !”

6 + < /# % $ E” ’ : B F ” 5 8 % d’ ! ” ( ” $ % d’ ! ! ? !;! ’ 4!
! !” $ [email protected]! E ! . % % ’ cd# 8 % d’ ” ’ 4! >& .2#! ” 5
” E! 5 > !;.! $ 3 C ” ” 5 ! !”
! . ( ! 3 z 6 # E # 2 # $
.[11] ” E! 5 ! 6 { # O %% ’ cd# “
! ” 8!; . ” 5 ! !” # ! $ # ’ D % ) M! J O %C 8 9 ? C V +’ IR 2 C ( 7 0 3 3″ ’C * ! $ X 6 : ’ C ( ! !
.2#!
.3 !” V [email protected] ! 9 J -١
2 # 24 8 ’ $ $ ; . cd# ! #! J -٢
#! 3 < 3 !” 10(ppm) e ’ “
.2#! 3″ – ’ 0/5 )
2 # 24 8 ’ $ $ ; . cd# ! #! J -٣
#! 3 < 3 !” 2(ppm) e’ “
.2#! 3″ – ’ 0/5 )
2 # 24 8 ’ $ $ ; . cd# ! # ! J -٤ .2#! 3″ – ’ 0/5 ) #! e ’ “
., 5 ; . cd# ! #! J -٥
$4. 3 D4#” V ’ ATR : ’ C w –
Bruker 2 25 # Tensor 27 3
. ’

6 !(+4- D 4#!(4 ( ! >8 $ 3 $# 6#’ R? 3 E B’ !
.2#! 3 3″ ’C * !
) #! ” 3 $ J ‘ $ ” -1
.2 # 12 8 ’ $ – ’0/5
) #! ” 3 $ J ‘ $ ” -2
8 ’ $ 3 !” 400(ppm) 3 < – ’0/5
.2 # 12
8 $ 800 $” ? 3 3″ 9 # $ ” -3
., 5 [<’
! O $J ‘ : ’ 8 ’ : 6 ! 6 [email protected] 3 “
? 2#! 3 [email protected] [<’ d&’ fC 5 V +’ H %! # .” 5 EM H5!” ! 3 5 V +’
2000X ; ” R? .2#! 3 )B5 #
3 $4. 3 D4#” V ’ .2#! 3 ’C 2#
. ’ D ! B 25 # Leo 435vp

$d! O ? E! 5: 4 %! b ! V 4 ! ( ! O ’ % % ’ V 4 ! $ F #! .” !” K &[email protected]’ E V 4 ! ( > KE $ [email protected]! !g 2% M H B?
2#! : E”> ! LUMO HOMO ’
.[12]
’ 4 ! E = 3 $9# +’ H b !
O5!” E b ! ? ! $ 2#! ’ 4’! 6
(E 9 E E . ’ $ ’ # :C B9 H @ 46 E: 4 %! 8! A! H’ $ ’ # H b ! $ ” 2 A
” ( 4 %! [email protected] E ?) !3 $ ’ # (K?! [email protected] OV ]’ ! ) [email protected] ! 5 H @ 46 lM ! &’ ( ?K .2#! % DN 2 u ! ( ? ? # ” ’ $ ’ # $ 6 2% M b ! OH b ! ?
.[13]2#! 3 = !; ( ! ” 2#!
8 $ $ (HLG) LUMO HOMO k ) O” ’ ? LUMO HOMO b ! k<45!
HLG .[14] 2#! K ’ ! 6 3 E”: B 2
E> ! ” V% ’ – ! 6 3 E” : B O;
:! $ :! ?’ ! HLG 2 .[15] 2#!
” V % ’ 4 %! 2 ! E 4. 3 ? s5 g6 #C > !;.! $%; ’ $ HLG >E .2. F 3 $ M E 3 4 %! ! 8< M ! ” ? ) +? ! , – b ! 3 E”: B O2 ( ! ! 2#! . ’ $4h D ! ! ? ( % ! $ ? D4h D!
? HLG #! ; # V . 4h# , ’ $d! g6 >9dG 4h# ? .”” ’
>9dG $ I ’ [-’ b ! k >E O” !” “;
.[16] “”’ V % ’ ? : #C g6
g6 > ! 2 # @M # F
$ µ (D) V % ’ 9dG ” :!; ’ O3 !” 2#! V % ’ >9dG ? ! 2 ( ?” 6
: ’ .2#! 3 ’C 2# 3 : ~ d# ” ;
! 2#! @-! 6 >9dG 3 ! ! 9dG “
2#! V% ’ >9dG 3 E” : B O; V% ’ )
E 6 9dG ” E: ’ !” p 8 $
.” ’ 3″ &? “’

: E 2F ‘ : : ’ C 5 E !”
.2#! 3 3″!” : B 4 H ” 3 !”
#! ” $J ‘ $ O2#! shB’ $ $ : E
3″ ! ? 3 !” M E$ [email protected] &’ ” E”’ : B $ 2#! 3 ’ 2# R5 ) 6 2#! +d# fg %! ! u E 6 – 3 !”
fg $ 2#! :C P? – E3 “!” .2#! 3 ; .
.2#! 3″!” x u ; . +d# Ob ! E3 “!” > K E b ! #! Cl- ’ E : $ “!” = !; >! E DB% ! ; ’ E $ fg 8 $ *&.
* +’ ” .[17] ’ &%! 3 3″ 5 ; . E K?! $ 2? 6 3″!” 2#” ! ! ” 5 :C 3 !” #! fg E: C ) E : ? ( ! fg .” ’ ! KE AP? :C $ $ E”’ x Cl- 3 . ’ ! ?> EV % ’ O3 !” 2F ‘ > !;.!
$ # $ O ] 5 EV % ’ !$+ fg 3 !”
( ; . fg
? : 4 %! 2 -1 O N K?! E: 4 %! -2
) ? ’ C $& M E: 4 %! -3
$ # $ cd# O( ! .[18] ’ fg .” ’ 3 6 H’ $ $ 3 !” E V% ’
# ” ! @ = ) SEM R?
: B ! , “- . $ %!-5 H .[19] 2#! ” 5 $ cd# ! SEM R? f -5 H . E” ’ $ – ’ 0/5 ) #! ” $J ‘ ! 6 “- . $ E” ’ : B R? . E” ’ : B ! 2 # 24 8 ’ : E .2#! 3 ” #C 3 !” f ‘ ” 8 $ cd# H [email protected] &’ ” O2#! shB’ -5 H ! $ $ cd# $ ?K 8 @5 ! &’ 3 !” f ‘ ” f -5
.2#! 3 ” !

– ./
& 0 – E ; + $ ’ : ’ @M H @ 46 !” 2 H
F 2#! 3 ’C 2# ! ’! E : ’ C ! > 6 .2#! 3 3″!” : B $ 6 2% M : ’ ( ? O$& G” 23 : ’ 8 ’ ! 6 $ E”’ : B !”
: ’ ( ! ! 6 :! ?’ 2#! 3 2 A H @ 46

.”!” , I! ! ! ’! : #!; <6 E: ’ C

&#G
! : #!; <6 3 ’C 2# E + ’ 3 H
E 2F ‘ lM f ‘ ” HCl – ’ 0/5 ” , “- . 3 V ” . E” ’ : B ! 3 !” :
H @ 46 ’ ” 5 4 %! E 4’! 6 : $4 @!” ? C E O ” 5
3 H !” d5 : $ # $ ” 5
. ! 3 $9# +’
!” ! ” 5 : $4 @!”
2# (1) $%” ’ ! !” : ’ ! : #!; <6 βa C E k ’ H. ? d5 .2#! 3 ’C O3 !” 2F ‘ > !;.! . ’ βc H. ? ?
’! C $ ” 5 H @ 46 $4. >E : $4 @!” $4. > !;.! : ’ ! 3″ H ’ 29]’ ” &’ 2# $
: B ? C d5 E ” ? .2#! 6 .2#! 9? w ! – 3 !” $ E” ’
.2#! $4. > !;.! 3 !” 2F ‘ > !;.! ; +d#

JK# 61 >HI
” ’ ’ 3 s hB? F FTIR = fg 3 !” 6 w O( N KE % !; !
( ! : = ( ! .” ’ ; . cd# 3
! G “- . : +d# fg 3 !” $ 2#! :! $ 3 5 V +’ “- . 4B’ HR. ” (4. . 2#! 3″ H ” 5 3 !”

(I)5 : #!; H @ 46 (A) E! 5 : 4 %! $ .” !” [email protected] – E
χ=(I+A)/2 ; η=(I-A)/2 (4)
ELUMO EHOMO $ ? ? $ EA IP $
. [19] !” [email protected]
I=-EHOMO ; A=-ELUMO (5)
7 (eV mol-1) ! χ U? ” &’ (EC K?! !
? [23] 2#! 3 $4. (0 eV mol-1) ! η
3 !” ! (∆N) $4. V &4! E : 4 %! ” &’ :! 4 V &4! E : 4 %! ” &’ .” $9# +’ ! (EC E K?! $
’ 4! 8 9# +’ = $ [email protected] 8 $ O$4. E : 4 %! “! ? ” ~<d ! O( ! .” !” 3 $4.
O ’ “: 4 %! ! E! ! ?” ! 8 9 “3 H&4 ’
“! ? $ $4 ! 3 ! (∆N) $ OpG! ” $ ” ! 3″ ? ! : 4 %! 3 ! E! $ E: 4 %!
. E”’ : B ! ! 3 : 4 %! 3 g6 V % ’ (∆N) : 4 %! ! E! ! ? ” &’ (3) $%” ’ )
∆N< 3/6 ! .2#! 3 ’C V ” 3 $9# +’ > !;.! ∆N ” &’ > !;.! !” : ’ ! O
’ >E O ∆N> 3/6 ! $ % M ” O ’
.[22 24]
D % ! O2#! shB’ $ $ : E
” ?- : 4 %! ! E! ! ? ” &’ ! ” 5 L 4’
$ 2#! !” 5 ?> !” : ’ ! $I 4
.2#! ( B 6 X 4 P?

#! %&
6 : ’ ! O3 !” 2 F ‘ > !; .! -1
. ’ > !;.! +d#
.2#! 9? w ! – 3 !” -2
= ” E ! 3 , I! ’ 4! 8 9# +’ -3 ” 5 L 4’ D % ! $ 2#! ( ! .” !” ” 5 !” _ +% ! ?- : ’ ! $ 2 #! 2 & &M ( ! FTIR J E3 “!” -4 L + 6 < /# %
O”- . cd# F ” ’ $ ( ! $ $?
A! # ! O2#! 3 fg ; . 8 $
: ’ ! !” [email protected] ’ V % ’ 45 # ’ 4 ! 8 9# +’ X 4 $ :! ? ’ !” 45 # O ; . fg ! . J ! ” $ ! ’ .” ’ | M ? : ? V % ’ !” : ’ ! !” ,; ’ [email protected] &’ !
! LUMO2 HOMO ” &’ 3 !” 2# :C L 4’ D % 2. ! G >E }6 ” ’
V ” 3 ’C 2# LUMO HOMO ” &’ . ’C
.#! 3 ’C 4
$ 2#! 2& &M ( ! D HSAB H ! : G , $ , #! 2h# $ 2h# #! H ? :! $ ; . E K?! OD ” : $ .[20 21] ’ ! !” 2h# EV % ’ ’ $45 , #!
, E V% ’ ” LUMO HOMO $. . ’ K LUMO HOMO $. ! !”
8? O4 V ” ’ ’ 4! 8 9# +’ X 4
! ?K ! LUMO HOMO b !
((2-2aminoethylamino)ethanol)-2- D %
” O2#! Hydroxy-5-methoxybenzaldehyde . ’ D % $ [email protected] ?, O$I 4 ?- 6 8< ? V % ’ O( !
(EC ; . K?! k J $ ( ?> !” 3″ fg )
! 4 ” ’ I ’ $ ” !” D % V % ’ $ [email protected] .” fg (EC cd# D % (∆N) $4. V &4 ! E: 4 %! ! &’ O( ! : ;.!
.[22] C ’ 2# ’ 4 ! 8 9# +’ #!
72646-29089

(3)

$
% ’ (EC ” &’ ( ! . E” ’ : B ! 3 !” V% ’ (EC d’ – : ’ ! P? 4 %! Q#’ R? -5
.2#! 3 !” ; . E: ? lM ” 3 !”
; . +d # fg !;.!KE A! 3 !” E: ?
. !3″!” > !;.! ! +d# 6 $I 4 ” ’

در این سایت فقط تکه هایی از این مطلب با شماره بندی انتهای صفحه درج می شود که ممکن است هنگام انتقال از فایل ورد به داخل سایت کلمات به هم بریزد یا شکل ها درج نشود

شما می توانید تکه های دیگری از این مطلب را با جستجو در همین سایت بخوانید

ولی برای دانلود فایل اصلی با فرمت ورد حاوی تمامی قسمت ها با منابع کامل

اینجا کلیک کنید

Refrences
R.H. Perry, D.W. Green (Eds.), and J.O.
Maloney Perry’s, Chemical Engineer’s Handbook, 7th ed., McGraw-Hill
Publishing, Pages 660-668,1997.
D.C. Kilpatrick, Purification and some Properties of a Lectin from the Fruit Juice of the Tomato (Lycopersiconesculentum), Biochem. J. , vol 185, Pages 269-272, 1980.
D. Ke, Fairuz. El-Wazir, Brad Cole,
Mila Mateos, and Adel A. Kader,
Tolerance of Peach and Nectarine Fruits to
Insecticidal Controlled Atmospheres as
Influenced by Cultivar, Maturity, and Size, Postharvest Biology and Technology, vol 4, Issues 1–2, Pages 135–146, April 1994.
E. A. Noor, Aisha H. Al-Moubaraki, Thermodynamic Study of Metal Corrosion and Inhibitor Adsorption Processes in Mild Steel/1-Methyl-4[4′(-X)-Styrylpyridinium
Iodides/Hydrochloric Acid Systems, Materials Chemistry and Physics, vol 110, Issue 1, Pages 145-154, 15 July 2008.
A. K. Singh, Sudhish K. Shukla, M.A.
Quraishi, Eno E. Ebenso, Investigation of Adsorption Characteristics of N,N′-
[(Methylimino)Dimethylidyne]Di-2,4Xylidine as Corrosion Inhibitor at Mild Steel/Sulphuric Acid Interface, Journal of the Taiwan Institute of Chemical Engineers, vol 43, Issue 3, Pages 463-472, May 2012.
M. Gopiraman, N. Selvakumaran, D.
Kesavan, R. Karvembu, Adsorption and
Corrosion Inhibition Behaviour of N(Phenylcarbamothioyl)Benzamide on Mild
Steel in Acidic Medium, Progress in Organic Coatings, vol 73, Issue 1, Pages 104-111, January 2012.
Saliyan V. Ramesh, Airody Vasudeva
Adhikari, N′-[4-(diethylamino)
Benzylidine]-3-{[8-(Trifluoromethyl)
Quinolin-4-yl]Thio}Propanohydrazide) as an Effective Inhibitor of Mild Steel Corrosion in Acid Media, Materials Chemistry and Physics, vol 115, Issues 2– 3Pages 618-627, 15 June 2009.
S. Bilgic, N. Caliskan, The effect of N(1-toluidine) Salicylaldimine on the Corrosion of Austenitic Chromium–Nickel Steel, Applied Surface Science, vol 152, Issues 1–2, Pages 107–114, 1 November 1999.
Meltem Düdükcü, Birgül Yazici,
Mehmet Erbil, The Effect of Indole on the Corrosion Behaviour of Stainless Steel, Materials Chemistry and Physics, vol 87, Issue 1, Pages 138–141, September 2004.
M. Behpour, S. M. Ghoreishi, A. Gandomi-Niasar, N. Soltani, and M.
Salavati-Niasari, The Inhibition of Mild Steel Corrosion in Hydrochloric Acid
Media by Two Schiff Base Compounds, J
Mater Sci., vol 44 , Pages 2444–2453, 2009.
Gökhan Gece, The use of Quantum
Chemical Methods in Corrosion Inhibitor Studies, Corrosion Science 50,Pages 2981– 2992, 2008.
K. Fukui, Theory of Orientation and Stereoselection, Theoretica Chimica Acta vol 41, 3, Pages 175-195, Number 1976.

P. Hohenberg, and W. Kohn, Inhomogeneous Electron Gas, Physical Review, vol 136, Issue 3B, Pages B864B871, November 1964.
D.F.V. Lewis, C. Ioannides, and D.V. Parke, Interaction of a Series of Nitriles with the Alcohol-inducible Isoform of
P450: Computer Analysis of Structure–Activity relationships,
Xenobiotica, vol 24, Pages 401–408, 1994. 15- Z. Zhou, and R.G. Parr, Activation hardness:new Index for Describing the Orientation of Electrophilic Aromatic
Substitution, American Chemical Society Publications, vol 112,Pages 5720–5724, 1990.
R.G. Pearson, Absolute Electronegativity and Hardness: Applications to Organic Chemistry, J. Organic Chemisty, vol 54, Pages 1423– 1430, 1989.
M. Lashgari, M. R. Arshadi, and M.
Biglar, Experimental and Theoretical Studies of Media Effects on Copper Corrosion in Acidic Environments Containing 2-Amino-5-Mercapto-1,3,4thiadiazole, Journal of the Iranian Chemical Society, vol 7, Pages 478-486, Number 2 (2010).
S.A. Ali, H.A. Al-Muallem, S.U. Rahman, and M.T. Saeed, Bisisoxazolidines: A New Class of corrosion inhibitors of mild steel in Acidic Media, Corrosion Science, vol 50, Issue 11, Pages 3070–3077, November 2008.
O D #; E! ! . O z4 # .! O G !. -19 u ’ ” 5 # 2 ( ! 3″ 4#!”
E * +’ ” 6061 7075 O2024 ,’ %C Eb %C
3 ” O3″; # 3 O( “! ’ $ I’ “” @ ?! $9
.1392 ;6 O69 -82.r O,N
20- Ralph G. Pearson, Absolute Electronegativity and Hardness:
Application to Inorganic Chemistry, Inorg.
Chem., vol 27, Issue 4, Pages 734–740, 21- Ernst-Christian Koch, Acid-Base
Interactions in Energetic Materials: I. The Hard and Soft Acids and Bases (HSAB)
Principle–Insights to Reactivity and Sensitivity of Energetic Materials, Propellants, Explosives, Pyrotechnics, vol 30, Issue 2, Pages 5–16, 24 FEB 2005.
V.S. Sastri and J.R. Perumareddi,
Molecular Orbital Theoretical Studies of Some Organic Corrosion Inhibitors, Corrosion, vol 53, Pages 617–622, 1997.
F. Bentiss, M. Lagrenee, and M. Traisnel, Influence of 2,5-bis(4dimethylaminophenyl)-1,3,4-Thiadiazole on Corrosion Inhibition of Mild Steel in Acidic Media, J Appl Electrochem, vol 31, Pages 41–48, 2001.
I.Lukovits, E.Kalman, Zucchi,
Corrosion Inhibitors-Correlation between Electronic Structure and Efficiency, Corrosion, vol 57, Pages 3–8, 2001.

1$0 ,
. L ! 6 +? # – 1 N!
45 # ,

Bis(N-(2-2aminoethylamino)ethanol)-2Hydroxy-5-methoxybenzaldehyde)cobalt(III) chloride

[Co(C12H18N2O3)2]Cl

.( .- / 3 1 2 34 5 6 PQ E4 -1 E4

.!(+4- &*S 1 +Q 41 T Q 0 (6 0! =) 6 R(8 – 2 N!

? ?
Fe 98/97 – Cr 0/131
C 0/099 – Mo 0/0406
SI 0/166 – Cu 0/185
Mn 0/346 – Al 0/0132
P >0/008 – V 0/0065
S 0/0071 – Ti 0/0062
Ni >0/025 –


پاسخی بگذارید