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

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1497-1507
Number of pages11
Journaljournal of the physical society of japan
Volume57
Issue number4
DOIs
Publication statusPublished - 1988 Jan 1

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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