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  • 1
    Electronic Resource
    Electronic Resource
    Synthesis and structure of new systems containing pyramidalized double bonds (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 107-116 
    Details
    ISSN: 1572-8854
    Keywords: Pyramidalized C(sp2) atoms ; molecular mechanics ; MOPAC ; geometry optimization ; molecular modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Syn- andanti-isomers of substituted tetracyclo[6.2.2.23.6.12.7]tetradeca-2(7)-ene have been synthesized. In thesyn-isomers steric interactions between cyclopropane hydrogen atoms lead to a pyramidalization of the C(sp2) atoms of the central double bond. The parameters from three crystal structures are compared with geometry optimized structures using PCWIN, MM3, and MOPAC. Plots of X-ray distances versus theoretically optimized distances give correlation coefficients between 0.91 and 0.97. Analysis of the discrepancies suggest modifications in some molecular mechanics parameters are needed to model the solid state structures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665985
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    An Unprecedented CoII-Tetraphenylporphyrin-Catalyzed Decomposition of Bicyclic Endoperoxides: A New Approach to Substituted Furofuran Systems (2000)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 2000 (2000), S. 1359-1363 
    Details
    ISSN: 1434-193X
    Keywords: Endoperoxides ; Cycloheptatriene ; Dichloroketene ; Singlet oxygen ; Cobalt ; Porphyrins ; Furans ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: -CoII-tetraphenylporphyrin-catalyzed decomposition of bicyclic endoperoxides 4 and 5 with a strained double bond moiety has been studied. Compounds 4 and 5 have been synthesized by photooxygenation of 3 which itself was obtained by dichloroketene addition to cycloheptatriene, followed by removal of the chlorine atoms. An unusual decomposition mode of 4 promoted by CoII-TPP resulted in the formation of 8 and 9 which are important building blocks in furofuran systems.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
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