Studies of Distortion of [Pd(en)2Pd(en)2X2]4+n (X = Cl, Br, I) Chain - Details

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Abstract：

The　distortion　of　an　one　dimensional　transition-metal　compound　[Pd(cn)2Pd(en)2X2]4+n　(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)2X2]4+n(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.

Keyword：

One dimensional transition-metal compound; Peierls distortion; Quantum chemistry studies

Community：

[ 1 ] [Wu, L.]Department of Chemistry, Fuzhou University, State Key Lab. of Struct. Chemistry, Fuzhou, 350002, China
[ 2 ] [Huang, Z.]Department of Chemistry, Fuzhou University, State Key Lab. of Struct. Chemistry, Fuzhou, 350002, China
[ 3 ] [Li, J.]Department of Chemistry, Fuzhou University, State Key Lab. of Struct. Chemistry, Fuzhou, 350002, China
[ 4 ] [Chen, H.]Department of Chemistry, Fuzhou University, State Key Lab. of Struct. Chemistry, Fuzhou, 350002, China
[ 5 ] [Zhang, Y.]Department of Chemistry, Fuzhou University, State Key Lab. of Struct. Chemistry, Fuzhou, 350002, China
[ 6 ] [Zhou, L.]Department of Chemistry, Fuzhou University, State Key Lab. of Struct. Chemistry, Fuzhou, 350002, China

Reprint 's Address：

李俊钱
[Li, J.]Department of Chemistry, Fuzhou University, State Key Lab. of Struct. Chemistry, Fuzhou, 350002, China

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Source ：

Acta Physico - Chimica Sinica

ISSN： 1000-6818

CN： 11-1892/O6

Year： 1999

Issue： 6

Volume： 15

Page： 486-487

1 0 . 8 0 0

JCR@2023

ESI Discipline： CHEMISTRY;

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30 Days PV： 1

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