Ethane Internal Rotation -Vibrational Hamiltonian

被引：0

作者：

Ricardo Hidalgo-Olguin, David ^{[1
]}

Villa, Maria ^{[1
]}

Senent, Maria Luisa ^{[2
]}

Mora-Delgado, Marco Antonio ^{[1
]}

机构：

[1] Univ Autonoma Metropolitana, Dept Quim Ciencias Basicas & Ingn, Mexico City 09340, DF, Mexico

[2] CSIC, Inst Estruct Mat, Dept Astrofis Mol & Infrarroja, E-28006 Madrid, Spain

来源：

JOURNAL OF THE MEXICAN CHEMICAL SOCIETY | 2008年 / 52卷 / 01期

关键词：

Ethane; ab initio; FIR-IR Spectrum;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

One of the main purposes of a theoretical spectroscopist is to propose a model to reproduce the xperimental spectra available in the literature as accurate and with as much physical information as possible. In this case it has been studied the Far infrared an Infrared spectra of non-rigid molecules, introducing in the Vibrational Potential their dependence on the large amplitude variables. The molecule that has been selected to test our proposed Hamiltonian is ethane which is a very well studied molecule. The molecule is a non-rigid molecule and their experimental spectra have been reported in the literature.

引用

页码：99 / 102

页数：4

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