Jihyun Kim, Heesu Jang, Soohyun Ka, Daniel . A. Obenchain, Rebecca A. Peebles, Sean A. Peebles, Jung Jin Oh* (2016). Microwave spectrum of 1-bromobutane. Journal of Molecular Spectroscopy, 328, 50-58.
DOI : 10.1016/j.jms.2016.08.004
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 79Br isotopic species and 81Br 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 79Br was measured. All the experimental data are in good agreement with the ab initio calculations.
Keywords
1-Bromobutane; Microwave spectrum; Quadrupole coupling constants; Dipole moment; Ab initio structure
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