Carbonyl Carbon-13 σ–π Polarization Constants
- 15 July 1969
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 51 (2) , 749-753
- https://doi.org/10.1063/1.1672064
Abstract
Carbonyl‐13C hyperfine splitting constants (hfs) in a number of radicals are analyzed in terms of a Karplus–Fraenkel‐type equation. Spin densities are determined semiempirically from 17O and 1H hfs and from MO calculations. The analysis gives and . These results are compared with independent theoretical calculations using SCFMO wavefunctions for formaldehyde.
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