Internal rotation, quadrupole coupling, and structure of (CH3)3SiCl studied by microwave spectroscopy and ab initio calculation

被引：14

作者：

Merke, I

Stahl, W

Kassi, S

Petitprez, D

Wlodarczak, G

机构：

[1] Rhein Westfal TH Aachen, Inst Phys Chem, D-52056 Aachen, Germany

[2] Univ Sci & Technol Lille, CNRS, UMR 8523, Lab Phys Lasers Atomes & Mol, F-59655 Villeneuve Dascq, France

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2002年 / 216卷 / 02期

关键词：

trimethylchlorosilane; internal rotation; molecular structure; chlorine quadrupole coupling; ab initio calculations;

D O I：

10.1006/jmsp.2002.8632

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The microwave spectrum of (CH3)(3)SiCl and its isotopic species (CH3)(3)(SiCl)-Cl-37, (CH3)(3)(SiCl)-Si-29, (CH3)(3) (SiCl)-Si-30, and ((CH3)-C-13)(CH3)(2) SiCl has been studied in the frequency range of 3 to 40 GHz. The barrier to internal rotation, the chlorine quadrupole coupling, and the structure were determined. Ab initio calculation were compared with the experimental results. (C) 2002 Elsevier Science (USA).

引用

页码：437 / 446

页数：10

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