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Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus


IMPACT FACTOR 2016: 1.432

CiteScore 2017: 1.30

SCImago Journal Rank (SJR) 2017: 0.403
Source Normalized Impact per Paper (SNIP) 2017: 0.632

Online
ISSN
1865-7109
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Volume 31, Issue 10

Issues

Rotation -Torsion -Vibration Interaction in the Rotational Spectra of Isotopic Species of Ethyl Cyanide

H. M. Heise / H. Mäder / H. Dreizler
Published Online: 2014-06-02 | DOI: https://doi.org/10.1515/zna-1976-1015

Abstract

The measurements of the ground state rotational spectra of CH3CH2C15N and CH3CD2CN were extended to calculate the centrifugal distortion coefficients DJ , DJK and DK. The rotation-torsion-vibration interaction for these molecules including the normal species CH3CH2CN was studied in the rotational spectra of the first excited state of the methyl torsion and the CCN-in plane deformation. With respect to previous work a more detailed check of a model with five degrees of freedom comprising the overall rotation and the two lowest vibrations was possible. Potential parameters were fitted simultaneously to the splittings of the rotational transitions in the two lowest excited vibrational states of the three isotopic molecules. The coefficients V3 and V6 of the Fourier expansion of the hindering potential for the torsion and an interaction constant V'3c for the torsion and the CCN-in plane deformation were determined. Using these results it was possible to reproduce the frequencies of the torsional and CCN vibrations. With less success the torsional overtones could also be calculated.

About the article

Received: 1976-07-14

Published Online: 2014-06-02

Published in Print: 1976-10-01


Citation Information: Zeitschrift für Naturforschung A, Volume 31, Issue 10, Pages 1228–1241, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-1976-1015.

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© 1946 – 2014: Verlag der Zeitschrift für Naturforschung. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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[1]
H. M. HEISE, H. MAEDER, and H. DREIZLER
Chemischer Informationsdienst, 1977, Volume 8, Number 2, Page no

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