Ethane Asymmetric C-H Stretching Vibrational Spectra

Details Ethane Asymmetric C-H Stretching Vibrational Spectra Ethane Asymmetric C-H Stretching Vibrational Spectra

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confefa06v&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Theory

Scientific paper

In this work we continue studying the ethane vibrational spectra, being considered as a non-rigid molecule. The Θ internal rotational angle and the symmetric and anti-symmetric CH stretching normal modes will be the variables under study. Using ab-initio calculations a three dimentional potential is obtained, and finally a three dimentional Far-infrared and infrared spectra will be presented. The results obtained will be compared with the ones reported in the literature.

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