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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
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.