On the structure and stability of singlet and triplet disilene and silylsilylene |
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| Authors: | Hans Lischka Hans-Joachim Köhler |
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| Institution: | Institut für Theoretische Chemie und Strahlenchemie der Universität Wien, A-1090 ViennaAustria;Organisations- und Rechenzentrum der Karl-Marx-Universität Leipzig. DDR- 7010 LeipzigGDR |
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| 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. |
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