Radical cations of disubstituted cyclopropanes: stereoelectronic effects on hyperfine coupling | Zendy

Roth Heinz D. | Zendy; Sauers Ronald R. | Zendy; Theisen Kevin J. | Zendy; Neshchadin Dmytro | Zendy; Gescheidt Georg | Zendy

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Radical cations of disubstituted cyclopropanes: stereoelectronic effects on hyperfine coupling

Author(s) -

Roth Heinz D.,

Sauers Ronald R.,

Theisen Kevin J.,

Neshchadin Dmytro,

Gescheidt Georg

Publication year - 2014

Publication title -

journal of physical organic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.325

H-Index - 66

eISSN - 1099-1395

pISSN - 0894-3230

DOI - 10.1002/poc.3269

Subject(s) - chemistry , geminal , cidnp , hyperfine coupling , hyperfine structure , coupling constant , computational chemistry , medicinal chemistry , stereochemistry , radical , organic chemistry , atomic physics , physics , particle physics

The positive hyperfine coupling constants of the geminal 1 H nuclei in cis ‐1,2‐dimethyl‐ and cis ‐1,2‐diphenylcyclopropane radical cations show a significant stereoelectronic effect: the 1 H 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 bismethano[2,2]paracylophane as well as new 1 H‐CIDNP experiments at 200 Mz elucidate the general features of these systems. Copyright © 2014 John Wiley & Sons, Ltd.

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