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Microwave spectrum of 4-ethylcyclohexanone
- Authors
- Ka, Soohyun; Park, Inhee; Oh, Jung Jin
- Issue Date
- Sep-2008
- Publisher
- ACADEMIC PRESS INC ELSEVIER SCIENCE
- Keywords
- 4-ethylcyclohexanone; rotational spectrum; microwave; dipole selection rules; chair conformation; equatorial group; axial conformer; Ab initio
- Citation
- JOURNAL OF MOLECULAR SPECTROSCOPY, v.251, no.1-2, pp 374 - 377
- Pages
- 4
- Journal Title
- JOURNAL OF MOLECULAR SPECTROSCOPY
- Volume
- 251
- Number
- 1-2
- Start Page
- 374
- End Page
- 377
- ISSN
- 0022-2852
1096-083X
- Abstract
- The rotational spectrum of 4-ethylcyclohexanone in the ground vibrational state has been observed in the frequency region from 6.0 to 18.0 GHz. Transitions having a-, b-, and c-dipole selection rules were all seen. The rotational constants are A = 3660.3669(20), B = 931.6707(3) and C = 796.8889(3)MHz. The elec tric dipole moment was also measured to give vertical bar mu(a)vertical bar = 3.111(2)D, vertical bar mu(b)vertical bar = 0.481(6) D, vertical bar mu(c)vertical bar = 1.059(2) D, vertical bar mu(tot)vertical bar = 3.321(13) D. These rotational parameters are consistent chair conformation with the equatorial ethyl group and the terminal carbon staggering between the hydrogen and carbon. (C) 2008 Elsevier Inc. All rights reserved.
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