Radical cations of disubstituted cyclopropanes: stereoelectronic effects on hyperfine coupling |
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| Authors: | Heinz D Roth Ronald R Sauers Kevin J Theisen Dmytro Neshchadin Georg Gescheidt |
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| Institution: | 1. Department of Chemistry and Chemical Biology, Rutgers University, , New Brunswick, NJ, 08854‐8087 USA;2. Institute of Physical and Theoretical Chemistry, Graz University of Technology, , 8010 Graz, Austria |
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| Abstract: | The positive hyperfine coupling constants of the geminal 1H nuclei in cis‐1,2‐dimethyl‐ and cis‐1,2‐diphenylcyclopropane radical cations show a significant stereoelectronic effect: the 1H nuclei trans (anti) to the substituents are coupled much more strongly than the corresponding nuclei cis (syn) to them. Theoretical calculations on these radical cations and on bismethano2,2]paracylophane as well as new 1H‐CIDNP experiments at 200 Mz elucidate the general features of these systems. Copyright © 2014 John Wiley & Sons, Ltd. |
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| Keywords: | CIDNP DFT calculations EPR hyperfine coupling radical cations stereoelectronic effects |
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