Microwave spectrum of 1-bromobutane

Jihyun Kim; Heesu Jang; Soohyun Ka; Daniel A. Obenchain; Rebecca A. Peebles; Sean A. Peebles; Jung Jin Oh

doi:10.1016/j.jms.2016.08.004

Microwave spectrum of 1-bromobutane

Jihyun Kim, Heesu Jang, Soohyun Ka, Daniel A. Obenchain, Rebecca A. Peebles, Sean A. Peebles, Jung Jin Oh

Department of Chemical Science Education

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

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.

Original language	English
Pages (from-to)	50-58
Number of pages	9
Journal	Journal of Molecular Spectroscopy
Volume	328
DOIs	https://doi.org/10.1016/j.jms.2016.08.004
State	Published - 1 Oct 2016

Keywords

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

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10.1016/j.jms.2016.08.004

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title = "Microwave spectrum of 1-bromobutane",

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, Ab initio structure, Dipole moment, Microwave spectrum, Quadrupole coupling constants",

author = "Jihyun Kim and Heesu Jang and Soohyun Ka and Obenchain, {Daniel A.} and Peebles, {Rebecca A.} and Peebles, {Sean A.} and Oh, {Jung Jin}",

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doi = "10.1016/j.jms.2016.08.004",

language = "English",

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journal = "Journal of Molecular Spectroscopy",

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TY - JOUR

T1 - Microwave spectrum of 1-bromobutane

AU - Kim, Jihyun

AU - Jang, Heesu

AU - Ka, Soohyun

AU - Obenchain, Daniel A.

AU - Peebles, Rebecca A.

AU - Peebles, Sean A.

AU - Oh, Jung Jin

PY - 2016/10/1

Y1 - 2016/10/1

N2 - 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.

AB - 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.

KW - 1-Bromobutane

KW - Ab initio structure

KW - Dipole moment

KW - Microwave spectrum

KW - Quadrupole coupling constants

UR - http://www.scopus.com/inward/record.url?scp=84991044759&partnerID=8YFLogxK

U2 - 10.1016/j.jms.2016.08.004

DO - 10.1016/j.jms.2016.08.004

M3 - Article

AN - SCOPUS:84991044759

SN - 0022-2852

VL - 328

SP - 50

EP - 58

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

ER -

Microwave spectrum of 1-bromobutane

Abstract

Keywords

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