Molecular structure of van der Waals complex of o- and m-methylaniline with CF3Cl, CF3H, CF4 and CH4 studied by laser induced fluorescence spectroscopy and ab initio calculations

被引：10

作者：

Ballesteros, B ^{[1
]}

Santos, L ^{[1
]}

Martínez, E ^{[1
]}

机构：

[1] Univ Castilla La Mancha, Fac Ciencias Quim, Dept Quim Fis, E-13071 Ciudad Real, Spain

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2002年 / 612卷 / 01期

关键词：

methylaniline; van der Waals complex; ab initio; internal rotational level; structure;

D O I：

10.1016/S0022-2860(02)00045-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The excitation LIF spectra of van der Waals complexes of o- and p-methylaniline and CF3Cl, CF3H, CH4 and CF4 in a supersonic free jet are reported. The spectra show a resolved structure characteristic due to the internal rotational transitions of the methyl group. The equilibrium geometries in the ground state of the complexes have been calculated at MP2/6-31 +G* level of calculation and the intermolecular interaction have been discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：13 / 28

页数：16

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