Conformational isomerism of 1-iodopentane

Stephens, Susanna L.

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https://hdl.handle.net/2142/100701 Copy

Description

Title

Conformational isomerism of 1-iodopentane

Author(s)

Stephens, Susanna L.

Contributor(s)

• Cooke, S. A.
• Novick, Stewart E.
• Bohn, Robert Karl
• Obenchain, Daniel A.
• Signore, Joshua A.

Issue Date

2018-06-20

Keyword(s)

Conformers and isomers

Date of Ingest

• 2018-08-17T16:09:33Z
• 2018-12-12T22:37:25Z

Abstract

The rotational spectrum of 1-iodopentane was measured over the 7-13 GHz frequency range with a chirped pulse Fourier transform microwave spectrometer revealing rotational transitions from a number of conformers. This continues the group’s work on how a large substituent, in this case an iodine atom, at the terminal position will affect the dihedral angles of the alkyl carbon backbone and what influence it will exert with continuing chain length. In keeping with last year’s study of 1-iodobutane,a we find that the corresponding GAA conformer is the most abundant, and that while the nuclear quadrupole coupling tensor is poorly predicted by direct ab initio methods, scaling methodsb allow very reasonable predictions to be obtained.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Genre of Resource

Conference Paper / Presentation

Language

eng

Permalink

http://hdl.handle.net/2142/100701

DOI

10.15278/isms.2018.WJ06

Copyright and License Information

Copyright 2018 Susanna L. Stephens

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