Berta Yuda Sisilia P_Radikal Alil
5
8/20/2019 Berta Yuda Sisilia P_Radikal Alil http://slidepdf.com/reader/full/berta-yuda-sisilia-pradikal-alil 1/5 STRUKTUR MOLEKUL A Nama : Berta Yuda Sisilia Putri NIM : 13 18 10 30 10 51 Soal : Tentukan nilai c pada fungsi gelombang pada molekul radikal allil? Strukur radikal •CH 2 -CH 2 =CH 2 Persamaan Matriks : H H H H H H H H H H !! !2 !" 2! 22 2" "! "2 "" = − − − = = E E E α β β α β β α β dengan dibagi − − − β α β α β α E E E " " " " = # misal x E = − β α = = " " " $ " " $ " " $ H determinan " " $ " " $ H x x x maka ( ) ( ) 2 $ # 2 $ H 2 $ H 2 2 ! ! = − = → = − = = − = − − − + + = x x x x x x $ " = % $ 2 = & √ 2
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Transcript of Berta Yuda Sisilia P_Radikal Alil
8/20/2019 Berta Yuda Sisilia P_Radikal Alil
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STRUKTUR MOLEKUL A
Nama : Berta Yuda Sisilia Putri
NIM : 131810301051
Soal :
Tentukan nilai c pada fungsi gelombang pada molekul radikal allil?
Strukur radikal •CH2-CH2=CH2
Persamaan Matriks :
HHH
HHH
HHH
H
!!!2!"
2!222"
"!"2""
=
−
−
−
=
=
E
E
E
α β
β α β
β α
β dengandibagi
−
−
−
β
α β
α β
α
E
E
E
"
""
"
=
#misal x E
=−
β
α
=
=
"
"
"
$
"
"$"
"$
Hdeterminan
"
"$"
"$
H
x
x
x
maka
( ) ( ) 2$#2$H
2$H
22
!!
=−=→=−=
=−=−−−++=
x x
x x x x
$" = % $2 = & √ 2
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'" : −√ 2 =
α − E1
β
E1 = ( ) √ 2 *
'2 : =
α − E2
β
E2 = (
'! : ) √ 2 =
α − E3
β
E3 = ( - √ 2 *
E1 = ( ) √ 2 *
• +H,, '"S,,. c" ) +H,/ '"S,/. c2 ) +H,C '"S,C. c! =
+( +( ) √ 2 *.0". c" ) +* +( ) √ 2 *.0. c2 ) + +( ) √ 2 *.0. c! =
- √ 2 * c" ) * c2 =
* +c2 - √ 2 c" . = +".
• +H/, '"S/,. c" ) +H// '"S//. c2 ) +H/C '"S/C. c! =
+* +( ) √ 2 *.0. c" ) +( - +( ) √ 2 *.0". c2 ) +* - +( ) √ 2 *.0. c! =
* c" - √ 2 * c2 ) * c! = +2.
• +HC, '"SC,. c" ) +HC/ '"SC/. c2 ) +HCC '"SCC. c! =
+ +( ) √ 2 *.0. c" ) +* - +( ) √ 2 *.0. c2 ) +( - +( ) √ 2 *.0". c! =
* c2 - √ 2 * c! =
* +c2 - √ 2 c!. = +!.
E2 = (
+H,, '2S,,. c" ) +H,/ '2S,/. c2 ) +H,C '2S,C. c! =
+( (0". c" ) +* (0. c2 ) + (0. c! =
* c2 = +1.
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+H/, '2S/,. c" ) +H// '2S//. c2 ) +H/C '2S/C. c! =
+* (0. c" ) +( - (0". c2 ) +* - (0. c! =
* c" ) * c! =
* +c" ) c!. = +. +HC, '2SC,. c" ) +HC/ '2SC/. c2 ) +HCC '2SCC. c! =
+ ( 0. c" ) +* - (0. c2 ) +( - (0". c! =
* c2 = +3.
E3 = ( - √ 2 *
+H,, '!S,,. c" ) +H,/ '!S,/. c2 ) +H,C '!S,C. c! =
+( +( - √ 2 *.0". c" ) +* +( - √ 2 *.0. c2 ) + +( - √ 2 *.0. c! =
√ 2 * c" ) * c2 =
* +c2 ) √ 2 c". = +4.
+H/, '!S/,. c" ) +H// '!S//. c2 ) +H/C '!S/C. c! =
+* +( -√ 2
*.0. c" ) +( - +( -√ 2
*.0". c2 ) +* - +( -√ 2
*.0. c! =
* c" ) √ 2 * c2 ) * c! =
* +c" ) √ 2 c2 ) c!. = +5.
+HC, '!SC,. c" ) +HC/ '!SC/. c2 ) +HCC '!SCC. c! =
+ +( - √ 2 *.0. c" ) +* - +( - √ 2 *.0. c2 ) +( - +( - √ 2 *.0". c! =
* c2 )√ 2
* c! =
* +c2 ) √ 2 c!. = +6.
( )
c
c
c
'-
'-
'-
!
2
"
=
→=−∑
α β
β α β
β α
j
j
ijij c ES H
Subtitusi Persamaan " dan !
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- √ 2 * c" ) * c2 = 77 +".
* c2 - √ 2 * c! = 77 +!.
- √ 2
* c" ) * c2 = * c2 -√ 2
* c!
- √ 2 * c"= - √ 2 * c!
c" = c!
8ilai C 9ang diperole :
−
−
=
2
"
2
"
2
"
2
"
2
"
2
"
2
"
2
"
2"
2"
2"
2"
C
Subtitusi nilai C:
;"
; =c" < , ) c2 < / ) c! < C
c" =1
2 # c2 =1
2
1
2
# c! =1
2
;" = < , ) +">2.">2 < / ) < C
;2
; =c" < , ) c2 < / ) c! < C
c" =1
212
1
2
# c2 = # c! = - 12
1
2
;2 = +">2.">2 < , - +">2.">2 < C
;2
; =c" < , ) c2 < / ) c! < C
c" =1
2 # c2 = -1
2
1
2
# c! =1
2
;! = < , - +">2.">2 < / ) < C
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