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Title: A study of the conformational isomerism of 1-iodobutane by high resolution rotational spectroscopy

Journal Article · · Journal of Molecular Spectroscopy
; ; ; ;

The first microwave study of 1-iodobutane, performed by Steinmetz et al. in 1977, led to the determination of the B+C parameter for the anti-anti- and gauche-anti-conformers. Nearly 40 years later, in this paper this reinvestigation of 1-iodobutane, by high-resolution microwave spectroscopy, led to the determination of rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants (NQCCs), and nuclear-spin rotation constants belonging to both of the two previously mentioned conformers, in addition to the gauche-gauche-conformer, which was observed in this frequency regime for the first time. Finally, comparisons between the three conformers of 1-iodobutane and other iodo- and bromoalkanes are made, specifically through an analysis of the nuclear quadrupole coupling constants belonging to the iodine and bromine atoms in the respective chemical environments.

Research Organization:
Wesleyan Univ., Middletown, CT (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE; National Science Foundation (NSF)
Contributing Organization:
Purchase College SUNY, NY (United States)
Grant/Contract Number:
AC05-76RL01830; CHE-1565276; CNS-0619508
OSTI ID:
1349075
Report Number(s):
PNNL-SA-123377; PII: S0022285217300346
Journal Information:
Journal of Molecular Spectroscopy, Vol. 335, Issue C; ISSN 0022-2852
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

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Cited By (2)

Automated assignment of rotational spectra using artificial neural networks journal September 2018
Automated Assignment of Rotational Spectra Using Artificial Neural Networks conference June 2018

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
Rotational spectroscopy
Nuclear quadrupole coupling tensor
Conformations
Iodine
Haloalkane
FTMW