Thuyt Lin Kt Ho Tr( Thuyt VB ) Valent Bond

M u:
Nh chng ta bit c nhiu kiu lin kt ho hc khc nhau: Cng ho tr, ion, kim loinhng quan trng nht l kiu lin kt cng ho tr. V vy chng ta tip tc xt kiu lin kt ny theo quan im CHLT hiu c ch cu to v c im ca n. V vy gii chnh xc phng trnh sng Schrodinger i vi cc h phn t khng thc hin c nn kho st lin kt cng ho tr ngi ta a ra nhiu phng php gii gn ng, trong c hai phng php c ph bin rng ri l: phng php lin kt cng ho tr ca Heitler, London v phng php orbitan phn t ca Muliken v Hund. Gi chng ta ch tin hnh xem xt cng ho tr theo phng php ca Heitler v London.

I ) L Thuyt
1 ) C s l thuyt cc lun im c s ca thuyt VB
>> Mt cch gn ng, coi cu to electron ca nguyn t vn c bo ton khi hnh thnh phn t t nguyn t, ngha l trong phn t vn c s chuyn ng ca electron trong AO. Tuy nhin khi 2 AO ho tr ca hai nguyn t xen ph nhau tao thnh lin kt ho hc th vng xen ph l vng xen ph chung cho hai nguyn t. >> Mi mt lin kt ho hc gia hai nguyn t c m bo bi hai 2 electron c spin i song m trong trng hp chung, trc khi tham gia lin kt, mi electron l electron c thn trong 1 AO ho tr ca mt nguyn t. Mi lin kt ho hc c to thnh l mt lin kt 2 tm( hai nguyn t). Lin kt ko th hnh thnh t 1 eletron (thiu e) hoc t 3 electron tr ln (tnh bo ho lin kt cng ho tr). >> S xen ph gia hai 2 AO c 2 electron ca 2 nguyn t cng mnh th lin kt c to ra cng bn ( nguyn l xen ph cc i). Lin kt ho hc c phn b theo phng c kh nng ln v s xen ph 2 AO( thuyt ho tr nh hng).

2 )T nhng c s l thuyt v nghin cu ca Haile v London v phn t H2 , lm nn tng cho ni dung thuyt VB ca Poling v Slyt:
Mi lin kt cng ho tr c hnh thnh l do s ghp i ca hai electron
c thn c spin ngc du ca hai nguyn t tham gia lin kt. Khi x ra s xen ph gia hai my eletron lin kt. Lin kt gia hai nguyn t cng bn nu mc xen ph cc orbitan cng ln, nh vy lin kt c thc hin theo phng m ti s chen ph l ln nht

3 )Kt Lun theo thuyt VB v ho tr ca nguyn t trong hp cht cng ho tr:

>>> Cng ho tr ca mt nguyn t( ho tr nguyn t) bng s lin kt m nguyn t c th to c vi cc nguyn t khc. >>> to c mt lin kt cng ho tr, nguyn t s dng mt e c thn ca chng. Nh vy, cng ho tr ca mt nguyn t bng s e c thn ca mt nguyn t dng tham gia lin kt. >>> Cng theo thuyt VB, khi tham gia lin kt cc nguyn t c th b kch thch. S kch thick ny c nh hng n cu hnh e ca nguyn t, cc cp e i c th tch ra v chim c cc AO cn trng trong cng mt lp. Nh vy s e c thn ca nguyn t c th thay i v cng ho tr ca nguyn t c th c gi tr khc nhau trng nhng hp cht khc nhau.

4 ) iu kin to lin kt cng ho tr:

*Nng lng ca cc AO tham gia xen ph phi xp x nhau *Cc AO tham gia xen ph phi c mt e ln *Cc AO tham gia xen ph phi cng tnh nh hng

II ) ng Dng:
Theo thc nghim, ta c th thy nhng ng dng cng nh u im chnh ca thuyt VB l: gii thch s hnh thnh lin kt gia cc nguyn t trong phn t. Cho php dng khi nim ho tr quen thuc trong ho hc v biu din 1 phn t bng cng thc cu to, v vy thuyt VB t ra tin li trong khi trnh by l thuyt.

Ngoi nhng u im ni tri trn, thuyt VB c mt s nhc im nh:

Cha gii thch c t m nng lng lin kt ca cc cht Cha gii thch cu hnh khng gian ca phn t