4.2 Article

Microwave spectrum of 1,2-propanediol

期刊

JOURNAL OF MOLECULAR SPECTROSCOPY
卷 257, 期 1, 页码 82-93

出版社

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jms.2009.06.013

关键词

Ab initio calculation; Dipole moment; Microwave spectrum; Propanediol; Rotational spectrum; Structure

资金

  1. NSF Centers for Chemical Innovation [0847919]
  2. Direct For Mathematical & Physical Scien
  3. Division Of Chemistry [0847919] Funding Source: National Science Foundation

向作者/读者索取更多资源

The microwave spectrum of the sugar alcohol 1,2-propanediol (CH3CHOHCH2OH) has been measured over the frequency range 6.5-25.0 GHz with several pulsed-beam Fourier-transform microwave spectrometers. Seven conformers of 1,2-propanediol have been assigned and ab initio electronic structure calculations of the 10 lowest energy forms have been calculated. Stark effect measurements were carried out on several of the lowest energy conformers to provide accurate determinations of the dipole moment components and assist in conformer assignment. (C) 2009 Elsevier Inc. All rights reserved.

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