Ethane Internal Rotation -Vibrational Hamiltonian

Authors

  • David Ricardo Hidalgo-Olguín Universidad Autónoma Metropolitana
  • María Villa Universidad Autónoma Metropolitana
  • María Luisa Senent Instituto de Estructura de la Materia
  • Marco Antonio Mora-Delgado Universidad Autónoma Metropolitana

DOI:

https://doi.org/10.29356/jmcs.v52i1.1053

Keywords:

ethane, ab initio, FIR-IR Spectrum

Abstract

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.

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Author Biographies

David Ricardo Hidalgo-Olguín, Universidad Autónoma Metropolitana

Departamento de Química, Ciencias Básicas e Ingeniería

María Villa, Universidad Autónoma Metropolitana

Departamento de Química, Ciencias Básicas e Ingeniería

María Luisa Senent, Instituto de Estructura de la Materia

Departamento de Astrofísica Molecular e Infrarroja

Marco Antonio Mora-Delgado, Universidad Autónoma Metropolitana

Departamento de Química, Ciencias Básicas e Ingeniería

References

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Published

2019-07-29

Issue

Vol. 52 No. 1 (2008): Special Issue Thirtieth Anniversary of the Department of Chemistryof the Universidad Autónoma Metropolitana

Section

Regular Articles

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