relatia de izolobalitate

7/25/2019 Relatia de Izolobalitate

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Isolobal analogy

Relatia de izolobalitate


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Elian, Mihai, Chen, M. M.-L., Mingos, D. M. P. andHofmann, R., Inorg. Chem., 15, 11! "1#$%&


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Con'o(m (ela)iei de izolobalitate*

- do+ '(agmente s+nt izolobale da n+m(+l,

simet(ia, etinde(ea in s/a)i+ 0i ene(gia o(bitalilo(de '(ontie( s+nt simila(e.

(bitalii de '(ontie( s+nt o(bitalii +n+i '(agmentmole+la( a(e /a(tii/ la 'o(ma(ea de legt+(i,2ind ehi3alent+l mole+la( al o(bitalilo( atomii.(bitalii de '(ontie( s+nt aesibili ae/t(ii sa+don(i de elet(oni. 4e ae/t elet(oni n o(bitaliide '(ontie( 3aan)i de ene(gie 6oas, L7M 0i sedoneaz elet(oni din o(bitalii de '(ontie( o+/a)i

+ elet(oni de ene(gia ea mai nalt, HM In+nele az+(i /a(tii/ la 'o(ma(e de legt+(i 0i al)io(bitali de ene(gie om/a(abil + o(bitalii HMsa+ L7M.


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- se ombin + 'o(ma(e de noilegt+(i himie n+mai '(agmenteleizolobale

- da do+ '(agmente s+ntizolobale 0i a+ aela0i n+m( deelet(oni se 3o( ombina n aela0i

mod si 3o( 'o(ma st(+t+(i simila(e.

Comenta(i+...


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8eomet(ia '(agmentelo( ML5, ML, ML9 /(o3enind dinst(+t+(a sat+(at ML%


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Diag(amele de o(bitali mole+la(i /ent(+ ML% , ML5 , ML , ML9


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:(agmente on)in;nd liganzi dono(i de , 5 0i % elet(oniizolobale + CH


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:(agmente o(ganometalie, o(ganie 0i ano(ganieizolobale


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I II IIIRela)ia de izolobalitate nt(e om+0i o(ganometalii"I&, o(ganii "II& 0i ano(ganii "III&


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=et(alitioaetilena ">& 0i te(t-b+tiltet(aed(an+l"?&


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relatia de izolobalitate

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