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BY-NC-ND 3.0 license Open Access Published by De Gruyter June 2, 2014

A Theoretical Study of α-CFnH3-n -substituted Cyclopropyl Cations

  • Salim M. Khalil and Hayfa M. Jarjis


MINDO-forces calculations are performed, with complete optimization of geometries, on α-Xcyclopropylcations, where X is CF3 , CF2H, and CFH2. It was found that the fluorine atom interacts with the localized empty Pπ-type orbital on α-carbon atom and forms a bridge with an angle 57.1 degree. Calculations also are performed on CF3-cyclopropyl anion and CF2H-cyclopropenyl cation. The fluorine atom in CF3 and CF2H shows no such interaction with the a-carbon atom because there is no localized empty Prc-type orbital

Received: 1989-9-7
Published Online: 2014-6-2
Published in Print: 1990-5-1

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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