Optically detected proton and nitrogen ENDOR in the3Eustate of zinc porphine in ann-octane single crystal
- 20 October 1984
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 53 (3) , 673-694
- https://doi.org/10.1080/00268978400102591
Abstract
Via optically detected ENDOR the hyperfine tensors of the protons, and partially of the nitrogen atoms, of zinc porphine in its 3 Eu state have been obtained. The results show that the in-plane principal axes of the fine-structure tensor make an angle of 7·8 ± 1·1° with the N-N symmetry axes. The spin densities are evaluated from the hyperfine data in a point-dipole model; a nuclear distortion of b1g symmetry has to be included in order to arrive at a consistent interpretation. The spin densities are compared with calculations and confirm a (eg ← a 2u ) orbital configuration for ZnP in its 3 Eu state.Keywords
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