PE AND UV SPECTRA OF LINEAR AND CYCLIC POLYSILANES AND ASSIGNMENT BY ABINITIO CALCULATIONS

被引：13

作者：

STUGER, H ^{[1
]}

HENGGE, E ^{[1
]}

JANOSCHEK, R ^{[1
]}

机构：

[1] KARL FRANZENS UNIV GRAZ,INST THEORET CHEM,A-8010 GRAZ,AUSTRIA

来源：

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS | 1990年 / 48卷 / 1-4期

关键词：

Ab initio calculations; linear and cyclic polysilanes; PE and UV spectra;

D O I：

10.1080/10426509008045897

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Ab initio calculations have been performed on linear and cyclic polysilanes including permethyl-substituted compounds. Koopmans' approximation was used for assigning experimentally obtained PE and UV spectra. The PE spectrum of octamethylcyclotetrasilane and the UV spectra of cyclopenta-and cyclohexasilane are presented for the first time. © 1990, Taylor & Francis Group. All rights reserved.

引用

页码：189 / 201

页数：13

共 23 条

[1]

[Anonymous], 1986, AB INITIO MOL ORBITA

[2]

Binkley J. S, 1982, GAUSSIAN 82

[3] PHOTOELECTRON-SPECTRA AND MOLECULAR-PROPERTIES .51. IONIZATION-POTENTIALS OF SILANES SINH2N+2 [J].

BOCK, H ;

ENSSLIN, W ;

FEHER, F ;

FREUND, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (03) :668-674

[4] PHOTOELECTRON SPECTROSCOPY AND MOLECULAR PROPERTIES .3. BOND-BOND INTERACTION IN POLYSILANES [J].

BOCK, H ;

ENSSLIN, W .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1971, 10 (06) :404-&

[5]

Bock H., 1971, ANGEW CHEM, V83, P435

[6]

BOCK HE, UNPUB

[7]

DUNNING TH, 1977, MODERN THEORETICAL C, V3, pCH1

[8]

FEHER F, 1977, 2632 LAND NORDRH WES

[9] ULTRAVIOLET PROPERTIES OF COMPOUNDS CONTAINING THE SILICON-SILICON BOND [J].

GILMAN, H ;

ATWELL, WH ;

SCHWEBKE, GL .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1964, 2 (04) :369-371

[10] ELECTRONIC-TRANSITIONS OF POLYSILANES AND THEIR PHOTOCHEMISTRY [J].

HALEVI, EA ;

WINKELHOFER, G ;

MEISL, M ;

JANOSCHEK, R .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1985, 294 (02) :151-161

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