A simple molecular orbital method for discussing the electronic structures of stereoisomers;the theoretical method and ESR hyperfine splittings of the terephthalaldehyde anion

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  • A simple molecular orbital method for discussing the electronic structures of stereoisomers the theoretical method and ESR hyperfine splittings of the terephthalaldehyde anion

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<jats:title>Abstract</jats:title> <jats:p>A new simple molecular orbital method with parameters modified by electronic interactions was developed so as to discuss simply the difference in electron distributions between stereoisomers. An application was made to the proton hyperfine coupling constants of the cis- and trans-isomers of the terephthalaldehyde anion radical, and the assignment of the constants was proposed on the basis of molecular orbital calculations.</jats:p>

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