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Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus

12 Issues per year

IMPACT FACTOR 2016: 1.432

Cite Score 2016: 1.35

SCImago Journal Rank (SJR) 2016: 0.368
Source Normalized Impact per Paper (SNIP) 2016: 0.594

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Volume 58, Issue 12


A Theoretical Study of Substituted Stepwise Fluorinated Cyclopropanone Keto-Enol System

Abdullah El-Alali / Ali A. Marashdeh / Salim M. Khalil
Published Online: 2014-06-02 | DOI: https://doi.org/10.1515/zna-2003-1211

MINDO-Forces calculations have been performed with complete optimization of the geometries on stepwise fluorinated cyclopropanones and their enols. Increase in the number of fluorine atoms causes destabilization of cyclopropanone. Perfluorinated enol was found to be present in substantial concentration, as was mentioned in previous work. This is supported by calculations of Gibbs free energies and isodesmic reactions. Geometrical parameters, heats of formation, electron densities, dipole moments and orbital energies (HOMO-LUMO) are reported.

Keywords : Fluorinated Cyclopropanone; Keto-enol

About the article

Published Online: 2014-06-02

Published in Print: 2003-12-01

Citation Information: Zeitschrift für Naturforschung A, Volume 58, Issue 12, Pages 749–755, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-2003-1211.

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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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