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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus


IMPACT FACTOR 2017: 1.144
5-year IMPACT FACTOR: 1.144

CiteScore 2017: 1.08

SCImago Journal Rank (SJR) 2017: 0.495
Source Normalized Impact per Paper (SNIP) 2017: 0.495

Online
ISSN
2196-7156
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Volume 229, Issue 10-12

Issues

Constraining the Conformational Landscape of a Polyether Building Block by Raman Jet Spectroscopy

Sebastian Bocklitz
  • Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Martin A. Suhm
  • Corresponding author
  • Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany
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  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2015-07-31 | DOI: https://doi.org/10.1515/zpch-2015-0633

Abstract

Collisionally induced chain isomerization of CH3OCH2CH2OCH3 around its three central torsional angles is characterized in a supersonic slit jet by probing compound-seeded carrier gas expansions with focussed 5–25 W cw 532 nm radiation as a function of carrier gas, nozzle temperature and distance. Spontaneously Raman scattered photons are collected and dispersed down to 100 cm1. They reveal important contributions from three chain conformations in the expansion. Isomerization around the outer torsional angle is found to be feasible, whereas the central OCCO angle remains largely conserved under most expansion conditions. The spectroscopic results are used for a critical assessment of quantum-chemical predictions for the energy sequence of the three low-lying conformations. The stretched global minimum energy structure of this polyether building block is consistent with a statistical model of the dominant unimolecular relaxation pathways.

Keywords: Spectroscopy; Raman; Polymers; Conformations; Relaxation; Quantum Chemistry; Gas Phase

About the article

Accepted: 2015-07-13

Received: 2015-04-21

Published Online: 2015-07-31

Published in Print: 2015-10-28


Citation Information: Zeitschrift für Physikalische Chemie, Volume 229, Issue 10-12, Pages 1625–1648, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1515/zpch-2015-0633.

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The Journal of Chemical Physics, 2017, Volume 147, Number 14, Page 144305
[4]
Franz Kollipost, Katharina E. Otto, and Martin A. Suhm
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