Citation: Ke Chen WU, Jun LI. Jahn-Teller Effect on Binary Indium Bromide ─An Ab Initio Study[J]. Chinese Chemical Letters, ;1999, 10(11): 941-944. shu

Jahn-Teller Effect on Binary Indium Bromide ─An Ab Initio Study

Ke Chen WU ¹ ,
Jun LI ^1,2

1.
State Key Laboratory of Structural Chemistry Fujian institute of Research on the Structure ofMatter Chinese Academy of Sciences Fuzhou 350002;
2.
Department of Chemistry The Ohio State University Columbus Ohio 43210 USA

Received Date: 3 June 1999

In order to elucidate the unusual chemical sensitivity of binary indium bromides.the potential energy surface of the model complex InBr₈^7- has been-studied by means of ab initio allelectron calculation with larger basis sets.The configuration is on a local maximum of the energy surface and crystal potential around In⁺ is soft, allowing small spontaneous distortions as a result of a second-order Jahn-Teller instability.
- Binary indium bromides,
- ab initio calculation,
- potential energy curve,
- second-orderJahn-Teller effect
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