A Study of 2-Iodobutane by Rotational Spectroscopy
2016-09-15 | journal article; research paper
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A Study of 2-Iodobutane by Rotational Spectroscopy
Arsenault, E. A.; Obenchain, D. A. ; Choi, Y. J.; Blake, T. A.; Cooke, S. A. & Novick, S. E. (2016)
The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 120(36) pp. 7145-7151. DOI: https://doi.org/10.1021/acs.jpca.6b06938
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- Authors
- Arsenault, Eric A.; Obenchain, Daniel A. ; Choi, Yoon Jeong; Blake, Thomas A.; Cooke, S. A.; Novick, Stewart E.
- Abstract
- Rotational transitions belonging to 2-iodobutane (sec-butyl-iodide, CH3CHICH2CH3) were measured over the frequency range 5.5-16.5 GHz via jet-pulsed Fourier transform microwave spectroscopy. The complete nuclear quadrupole coupling tensor of iodine, χ, was obtained for the gauche (g)-, anti (a)-, and gauche' (g')-conformers as well as the four (13)C isotopologues of the gauche species. Rotational constants, centrifugal distortion constants, quadrupole coupling constants, and nuclear spin-rotation constants were determined for each species. Changes in χ of the iodine nucleus, resulting from conformational and isotopic differences, are discussed. Isotopic substitution of g-2-iodobutane allowed for an rs structure to be determined for the carbon backbone. Additionally, isotopic substitution in conjunction with an ab initio structure allowed for a fit of various r0 structural parameters belonging to g-2-iodobutane.
- Issue Date
- 15-September-2016
- Journal
- The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory
- ISSN
- 1089-5639
- eISSN
- 1520-5215
- Language
- English