Studies of the Magnetic Circular Dichroism and Tautomerism of Pyridinols (Pyridinones) and Pyrimidinols (Pyrimidinones)
- 1 November 1980
- journal article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 53 (11) , 3069-3072
- https://doi.org/10.1246/bcsj.53.3069
Abstract
The magnetic circular dichroism(MCD) spectra of pyridinols (pyridinones) and pyrimidinols (pyrimidinones) were measured in the wavenumber region of 27000–50000 cm−1. The transition energies, the oscillator strengths, and the Faraday B terms were calculated within the framework of the INDO/S-CI approximation. The calculated results for the π*←π transitions were in good agreement with the experimental results. The lactim-lactam tautomerism of 3-pyridinol(3(1H)-pyridinone) and 2-pyrimidinol (2-pyrimidinone) was discussed.Keywords
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