Rotational Spectra Of Hydrogen Bonded Networks Of Amino Alcohols

Zhang, Di

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https://hdl.handle.net/2142/50804 Copy

Description

Title

Rotational Spectra Of Hydrogen Bonded Networks Of Amino Alcohols

Author(s)

Zhang, Di

Contributor(s)

Zwier, Timothy S.

Issue Date

2014-06-20

Keyword(s)

Chirped pulse

Abstract

The rotational spectra of several different amino alcohols including D/L-allo-threoninol, 2-amino-1,3-propanediol and 1,3-diamino-2-propanol over the 6.5-18.5 GHz range have been investigated under jet-cooled conditions using chirped-pulsed Fourier transform microwave spectroscopy. Despite the small size of these molecules, a great variety of conformations have been observed in the molecular expansion. While the NH$_{2}$ group is typically thought of as a H-bond acceptor, it often acts both as acceptor and donor in forming H-bonded networks. With three adjacent H-bonding substituents (a combination of OH and NH$_{2}$ groups), many different hydrogen bonding patterns are possible, including H-bonded chains and H-bonded cycles. Since many of these structures differ primarily by the relative orientation of the H-atoms, the analysis of these rotational spectra are challenging. Only through an exhaustive conformational search and the comparison with the experimental rotational constants, nuclear quadrupolar splittings, and line strengths are we able to understand the complex nature of these interactions. The ways in which the presence and number of NH$_{2}$ groups affects the relative energies, and distorts the structures will be explored.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/50804

DOI

https://doi.org/10.15278/isms.2014.FD06

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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