On the structure and stability of singlet and triplet disilene and silylsilylene

Hans Lischka, Hans Joachim Köhler

Research output: Contribution to journalArticlepeer-review

73 Scopus citations

Abstract

Ab initio SCΓ calculations on the lowest singlet and triplet states of disilene and silylsilylene with extended basis sets including polarization functions are reported. The twisted orthogonal structure for triplet disilene treated so far in the literature corresponds to a saddle point of second order whereas the true minimum is represented by a twisted bent structure.

Original languageEnglish
Pages (from-to)467-471
Number of pages5
JournalChemical Physics Letters
Volume85
Issue number4
DOIs
StatePublished - Jan 22 1982

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