Orbital Phase Control of the Stabilities of π-Conjugated Diradicals

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Abstract

The concept of orbital phase continuity–discontinuity was applied to π-conjugated diradicals. Cyclic orbital interactions are involved in the spin polarization and delocalization in acyclic π-conjugated diradicals. The relative stabilities of the singlet isomers, those of the triplet isomers, and the spin multiplicities of the ground states were shown to be predicted by the orbital phase properties. The heteroatom effects on the spin preference was shown to be related to the <i>degree</i> of the continuity (discontinuity) of the orbital phase.

Journal

  • Bulletin of the Chemical Society of Japan

    Bulletin of the Chemical Society of Japan 69(10), 2781-2789, 1996-10-15

    The Chemical Society of Japan

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Codes

  • NII Article ID (NAID)
    10008909274
  • NII NACSIS-CAT ID (NCID)
    AA00580132
  • Text Lang
    ENG
  • Article Type
    ART
  • ISSN
    00092673
  • NDL Article ID
    4098809
  • NDL Source Classification
    ZP1(科学技術--化学・化学工業)
  • NDL Call No.
    Z53-B35
  • Data Source
    CJP  NDL  J-STAGE 
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