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Citation: 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 Physico-Chimica Sinica, ;1999, 15(06): 481-487. doi: 10.3866/PKU.WHXB19990601 shu

Stduies of Distortion of [Pd(en)₂Pd(en)₂X₂]⁴⁺_n(X=Cl,Br,I) Chain

1.
Department of Chemistry,Fuzhou University,State Key Laboratory of Structural Chemistry,Fuzhou 350002

Received Date: 24 November 1997
Available Online: 15 June 1999

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.
- Peierls distortion,
- One dimensional transition-metal compound,
- Quantum chemistry studies
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Stduies of Distortion of [Pd(en)2Pd(en)2X2]4+n(X=Cl,Br,I) Chain

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通讯作者: 陈斌, bchen63@163.com

Stduies of Distortion of [Pd(en)₂Pd(en)₂X₂]⁴⁺_n(X=Cl,Br,I) Chain