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  • 1
    Electronic Resource
    Electronic Resource
    Electronic structure of the disilenyl radical anionDedicated to Professor O. J. Scherer on the occasion of his 60th birthday. (1994)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 7 (1994), S. 251-255 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: According to quantum chemical calculations, the anion radical of disilene adopts a syn- or anti-pyramidal geometry. The former is not a stable entity on the electronic hypersurface and it decreases further in energy by rotation of the Si-Si bond. Energy optimization of various structural alternatives reveals for the anion radical an Si-Si bond slightly longer than a single bond. The anti geometry prefers a C2h geometry whereas the syn geometry resembles a silylene coupled with a silylene radical anion. The fragmentation of disilene into two silylene units is less exothermic for the neutral species than for the anion (radical), as examined by the ab initio calculations.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610070506
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  • 2
    Electronic Resource
    Electronic Resource
    Electronic structure of the 1,3-diphosphetane (1995)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 8 (1995), S. 742-746 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The equilibrium structures of cis- and trans-1,3-diphosphetane were evaluated at the RHF/6-31g** level of optimization, with MP2 electron correlation correction. Both structures are puckered, the trans isomer being slightly lower in energy than the cis isomer. The inversion barrier in 1,3-diphosphetane is lower in energy than in phosphetane.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610081107
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    Paper (German National Licenses)
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