Theory of Retinal and Its Related Compounds by the Extended INDO-CI Method Taking Account of the Change in Bond Lengths in Consistence with Electronic States

Tohru Sugimoto, Etsuro Ito, Hideo Suzuki

研究成果: Article査読

5 被引用数 (Scopus)

抄録

We consider retinal and its related compounds in planar configuration provided they have no ionic structure, and we extend the ordinary INDO-CI method to calculate their bond lengths in consistence with their electronic states. One of the important features of our extended INDO-CI method is that each bond length is calculated as a function of bond order which is similar to the Coulson type of relation derived by the π-electron approximation. The extended INDO-CI calculations of the bond lengths, electronic structure and optical absorptions of the molecules indicate that the previous results, which were obtained by Suzuki et al. using the π-electron approximation, are reasonable.

本文言語English
ページ(範囲)1497-1507
ページ数11
ジャーナルjournal of the physical society of japan
57
4
DOI
出版ステータスPublished - 1988 1 1

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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