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10olur. Hцkkelin tяklif etdiyi yaxыnlaшmalar nяzяrя alыndыqda (1.5) tяnliklяr sistemiaшaьыdakы шяkildя yazыla bilяr:C ( α − E)+ C β + ... + C β = 01C β + C1..............................................................121n122n2212C β + C β + ... + Cnnn1n( α − E)+ ... + C β = 02n( α − E)= 0⎫⎪⎬⎪⎪⎭(1.12)α − Eββ21n1β12α − Eβn2.........ββ1n2n( α − E)=0 (1.13)(1.12) sistemini aшaьыdakы kimi yazmaq olar:∑C ( α − E)+ β = 0(1.14)μC νμ > να − Eχ = яvяzetmяni qяbul edirik, onda (1.14) ifadяsi aшaьыdakы шяklя dцшцr.β+∑χ C C = 0(1.15)μμ→νν(1.13) determinantыnыn hяlli enerji цчцn n sayda qiymяtlяr verir:E = α + m βμ = 1,2..., nμμBunu qrafik шяklindя gюstяrmяk olar:
Шяkil 1.111α − 2βα − βrabitя yaratmayanαα + βrabitя yaradanα + 2βEnerji цчцn bir sыra qiymяtlяr чoxluьu alыnыr. Enerjinin sыfыr qiymяtiE = αgюtцrцlцr, yяni elektronun sяrbяst karbon atomunun 2Pz atom orbitalыndakыenerjisinя bяrabяrdir.(1.14) Hцkkel tяnliklяrinя daxil olan α vя β kяmiyyяtlяri Hцkkel parametrlяriadlanыrlar vя onlarыn hяr ikisi mяnfi iшarяlidir. Tяyinindяn gюrцndцyц kimi,αkяmiyyяti izolя olunmuш karbon atomunda elektronun enerjisini xarakterizя edir.Rezonans inteqralы β isя nцvяlяrin σ -elektronlar tяrяfindяn ekranlaшmышsahяsindя χ pχqsыxlыьы ilя paylanmыш elektron yцkцnцn enerjisinя tяqribяn bяrabяrolan kяmiyyяtdir.α vя β parametrlяri bilavasitя hesablanmыr vя mцяyyяn mцlahizяlяrяяsaslanan tяcrцbi faktlarla mцqayisя яsasыnda qiymяtlяndirilirlяr.
Page 1 and 2: AZЯRBAYCAN RESPUBLИKASЫ TЯHSИL
Page 3 and 4: GİRİШ3Mövzunun aktuallığı: M
Page 5 and 6: 5elmi konfranslarında, BDU-nun “
Page 7 and 8: 7N∑ψ = C μϕ μ(1.1)μ = 1Cμna
Page 9: 1.2 Hцkkel metodu9Molekulyar orbit
Page 13 and 14: 13xassяlяrindяn istifadя etmяk
Page 15 and 16: 15XC1 + C2 +C6 =0C1 + XC2 + C3 =0C2
Page 17 and 18: 17Hцkkel metodunda hяr bir karbon
Page 19 and 20: 1 0 0 0 0 0190 1 0 0 0 00 0 1 0 0 0
Page 21 and 22: 1 0 0 0 0 00 0 0 0 0 10 0 0 0 1 0σ
Page 23 and 24: 23Bu matrislяrin, yяni C6v qrupun
Page 25 and 26: 1m = ( ) ( ) = 02 ∑ + AX Г g X
Page 27 and 28: 27x 2 ,y 2 ,xy,xz vя yz;3.Aksial v
Page 29 and 30: hяmin чevirmя isя,29⎛ x′⎞
Page 31 and 32: ⎛ 1 3 ⎞⎜⎟Г = ⎜ 2( С 5)2
Page 33 and 34: ⎛ 1⎜ −3 ⎞⎟2= ⋅ = ⎜ 2
Page 35 and 36: 35222222412343432341yxyxyyxyxx++=
Page 37 and 38: ⎛ 1 ⎞⎜ − − 3 ⎟⎜ 2 ⎟
Page 39 and 40: 39Cяdvяl 2.4I C21C32C31C65C6σv1
Page 41 and 42: 41Гi(g) matrislяri,цmumiyyяtlя
Page 43 and 44: 1113= ⋅ 2 =1212+ Г(σ )1〉= ( 1
Page 45 and 46: 45(2.31) gяtirяn matrisindя gяt
Page 47 and 48: 47(2.65)-dя γ = 3,4,5, 6 qiymяtl
Page 49 and 50: 49⋅γ = 1 γ = 2 ; 〈 1C1E22〉=
Page 51 and 52: 51C -1 =C + =C *T (2.77)шяrti юd
Page 53 and 54: Bu matris tяnliyindяn (1.1)-я ox
Page 55 and 56: 55α + 2β 0 0 0 0 0 ε10 0 0 0 00
Page 57 and 58: N Я T И C Я L Я R.57- Tяqdim o
Page 59 and 60: 59Sadigova Kenul RafailCalculation
Page 61:
6116. Р. Хохштрассер.
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