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Microwave spectrum of 1-bromobutaneopen access
- Authors
- Kim, Jihyun; Jang, Heesu; Ka, Soohyun; Obenchain, Daniel A.; Peebles, Rebecca A.; Peebles, Sean A.; Oh, Jung Jin
- Issue Date
- Oct-2016
- Publisher
- ACADEMIC PRESS INC ELSEVIER SCIENCE
- Keywords
- 1-Bromobutane; Microwave spectrum; Quadrupole coupling constants; Dipole moment; Ab initio structure
- Citation
- JOURNAL OF MOLECULAR SPECTROSCOPY, v.328, pp 50 - 58
- Pages
- 9
- Journal Title
- JOURNAL OF MOLECULAR SPECTROSCOPY
- Volume
- 328
- Start Page
- 50
- End Page
- 58
- ISSN
- 0022-2852
1096-083X
- Abstract
- The rotational spectrum of 1-bromobutane has been measured in the range of 8-18 GHz using a 480 MHz bandwidth chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. 1-bromobutane has five conformers; aa, ag, ga, gg, gg'. Spectra for the Br-79 isotopic species and Br-81 isotopic species were observed and assigned for the three lowest energy conformers, aa, ga, and gg. Consequentially, the rotational constants, nuclear quadrupole coupling constants, and centrifugal distortion constants were determined and the dipole moment of the aa conformer with Br-79 was measured. All the experimental data are in good agreement with the ab initio calculations. (C) 2016 Elsevier Inc. All rights reserved.
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