Studies of distortion of [Pd(en)2Pd(en)2X2]n4+ (X = Cl, Br, I) chain

被引：1

作者：

Wu, LM ^{[1
]}

Huang, ZX ^{[1
]}

Li, JQ ^{[1
]}

Chen, H ^{[1
]}

Zhang, YF ^{[1
]}

Zhou, LX ^{[1
]}

机构：

[1] Fuzhou Univ, Dept Chem, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

来源：

ACTA PHYSICO-CHIMICA SINICA | 1999年 / 15卷 / 06期

关键词：

peierls distortion; one dimensional transition-metal compound; quantum chemistry studies;

D O I：

10.3866/PKU.WHXB19990601

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The distortion of an one dimensional transition-metal compound [Pd(cn)(2)Pd(en)(2)X-2](n)(4+) (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)(2)Pd(en)(2)X-2](n)(4+) (M = Pt, Pd, Ni; X = Cl, Br, I) were explained reasonably. And it was shown that the delta e of Pd in the complex varies linear with the deflection of d.

引用

页码：481 / 487

页数：7

共 22 条

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