Acta Phys. -Chim. Sin. ›› 1999, Vol. 15 ›› Issue (06): 481-487.doi: 10.3866/PKU.WHXB19990601
• ARTICLE •
Wu Li-Ming, Huang Zun-Xing, Li Jun-Jian, Chen Hong, Zhang Yong-Fan, Zhou Li-Xin
The distortion of an one dimensional transition-metal compound [Pd(cn)_2Pd(en)_2X_2]_n4+(X=Cl, Br, I) was studied by ab initio and EHT method. It was found that the degree of distortion was decided by the energy reduce of occupied orbit, interaction between metal nuclear and interaction among electrons. Base on it, the change rules of distortion and mixed-valence of [Pd(en)_2Pd(en)_2X_2]_n(4+)(M=Pt, Pd, Ni; X=Cl, Br, I) were explained reasonably. And it was shown that the δe of Pd in the complex varies linear with the deflection of d.
One dimensional transition-metal compound,
Quantum chemistry studies
Wu Li-Ming, Huang Zun-Xing, Li Jun-Jian, Chen Hong, Zhang Yong-Fan, Zhou Li-Xin. Stduies of Distortion of [Pd(en)2Pd(en)2X2]4+n(X=Cl,Br,I) Chain[J].Acta Phys. -Chim. Sin., 1999, 15(06): 481-487.
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