Microwave spectrum of 1-bromobutane

作者：Kim Jihyun; Jang Heesu; Ka Soohyun; Obenchain Daniel A; Peebles Rebecca A; Peebles Sean A; Oh Jung Jin^*

来源：Journal of Molecular Spectroscopy, 2016, 328: 50-58.

DOI：10.1016/j.jms.2016.08.004

• 1-Bromobutane
• Microwave spectrum
• Quadrupole coupling constants
• Dipole moment
• Ab initio structure

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.

• 出版日期2016-10