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Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus


IMPACT FACTOR 2017: 1.414

CiteScore 2018: 1.15

SCImago Journal Rank (SJR) 2018: 0.370
Source Normalized Impact per Paper (SNIP) 2018: 0.431

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Volume 36, Issue 12

Issues

The Microwave Spectrum of Imidazole; Complete Structure and the Electron Distribution from Nuclear Quadrupole Coupling Tensors and Dipole Moment Orientation

Dines Christen
  • Corresponding author
  • School of Physical and Molecular Sciences, University College of North Wales, Bangor LL57 2UW, Gwynedd, U.K.
  • Other articles by this author:
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/ John H. Griffiths
  • School of Physical and Molecular Sciences, University College of North Wales, Bangor LL57 2UW, Gwynedd, U.K.
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ John Sheridan
  • School of Physical and Molecular Sciences, University College of North Wales, Bangor LL57 2UW, Gwynedd, U.K.
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2014-06-02 | DOI: https://doi.org/10.1515/zna-1981-1220

Spectra have been measured for eleven isotopic forms of imidazole, including single substitutions at each nucleus in turn. A complete rs-structure is obtained. The ring structure is:

N(1)-C(2) = 1.364 Å, C(2)-N(3) = 1.314 Å, N(3)-C(4) = 1.382 Å, C(4)-C(5) = 1.364 Å, C(5)-N(1) = 1.377 Å, ≮N(1)C(2)N(3) = 112.0°, ≮C(2)N(3)C(4) = 104.9°, ≮N(3)C(4)C(5) = 110.7°, ≮C(4)C(5)N(1) = 105.5° and ≮C(5)N(1)C(2) = 106.9°.

The N(1)-H(1) distance is 0.998 Å, while the C-H distances are all very close to 1.078 Å. The bonds N(1)-H(1) and C(2)-H(2) lie close to the external bisectors of the respective ring angles, but C(4)-H(4) and C(5)-H(5) are each displaced by several degrees from these bisectors towards N(3) and N(1) respectively. The electric dipole moment is established as 3.67 (5) D from Stark effects, directed almost parallel with the line joining the nitrogen nuclei. The properties and orientations of the two 14N-nuclear quadrupole tensors have been investigated, in particular through the spectra of the two mono-14N-imidazoles.

About the article

Received: 1981-11-08

Published Online: 2014-06-02

Published in Print: 1981-12-01


Citation Information: Zeitschrift für Naturforschung A, Volume 36, Issue 12, Pages 1378–1385, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-1981-1220.

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© 1946 – 2014: Verlag der Zeitschrift für Naturforschung. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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