An extended INDO-CI study on protonated retinal Schiff-base

Tohru Sugimoto, Yoshio Kishi, Etsuro Ito, Hideo Suzuki

    Research output: Contribution to journalArticle

    5 Citations (Scopus)

    Abstract

    The bond lengths, bond orders, electron densities and optical absorption of the ground state of retinal forming a protonated Schiff-base linkage with a lysine residue (PRSB-Lys) are calculated using the extended INDO-CI molecular orbital method, and the result is compared with the previous one obtained by the π-electron approximation. It is, thus, shown that the π-electron system of PRSB-Lys is appreciably polarized, and that the σ - π interaction in PRSB-Lys is too large to be neglected when a C-C bond in its polyene chain is twisted. It is also shown that the negative counter point-charge exerts influence on the π-electron distribution in a similar way to that shown by the π-electron approximation.

    Original languageEnglish
    Pages (from-to)3780-3790
    Number of pages11
    JournalJournal of the Physical Society of Japan
    Volume59
    Issue number10
    Publication statusPublished - 1990 Oct

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    imines
    electrons
    lysine
    electron distribution
    approximation
    linkages
    molecular orbitals
    counters
    optical absorption
    ground state
    interactions

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Cite this

    An extended INDO-CI study on protonated retinal Schiff-base. / Sugimoto, Tohru; Kishi, Yoshio; Ito, Etsuro; Suzuki, Hideo.

    In: Journal of the Physical Society of Japan, Vol. 59, No. 10, 10.1990, p. 3780-3790.

    Research output: Contribution to journalArticle

    Sugimoto, T, Kishi, Y, Ito, E & Suzuki, H 1990, 'An extended INDO-CI study on protonated retinal Schiff-base', Journal of the Physical Society of Japan, vol. 59, no. 10, pp. 3780-3790.
    Sugimoto, Tohru ; Kishi, Yoshio ; Ito, Etsuro ; Suzuki, Hideo. / An extended INDO-CI study on protonated retinal Schiff-base. In: Journal of the Physical Society of Japan. 1990 ; Vol. 59, No. 10. pp. 3780-3790.
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