On hyperfine coupling constants and molecular geometries of radical-anions of some cyclooctatetraene derivatives
- 1 January 1966
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 10 (2) , 207-208
- https://doi.org/10.1080/00268976600100281
Abstract
Since calculations of proton hyperfine coupling constants for the radicalanions of tetraphenylene and 1,2: 5,6-dibenzocyclooctatetraene based on planar models with strong coupling between unsaturated fragments agree with experiment nearly as well as those based on non-planar models with weak coupling between unsaturated fragments, such data do not constitute evidence for the molecular geometry of the radical-anions.Keywords
This publication has 4 references indexed in Scilit:
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- Hyperfine coupling constants and their dependence on charge densitiesMolecular Physics, 1963
- Non-neighbour effects on hyperfine coupling constants in alternant hydrocarbon radicalsTheoretical Chemistry Accounts, 1963
- Self-consistent field theory of the electron spin distribution in π-electron radicalsMolecular Physics, 1960