A novel polycyclic caged compound, tetranitrodiazidoacetylhexaazaisowurtzitane (TNDAIW), has been synthesized by a six-step reaction. The molecular structures of two key intermediates and TNDAIW were identified. The crystal structure of the titled compound was established by X-ray crystallography. Semi-empirical MO calculations were performed with AM1 and PM3 methods based on the crystal structure. The corresponding data of beta-CL-20 are also given for comparison. (Abstract Copyright [2004], Wiley Periodicals, Inc.)


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    Title :

    Synthesis, crystal structure and theoretical study of tetranitrodiazidoacetylhexaazaisowurtzitane (TNDAIW)


    Contributors:
    Wu, Yukai (author) / Ou, Yuxiang (author) / Liu, Jinquan (author) / Liu, Lihua (author) / Chen, Boren (author) / Liu, Zhiguo (author)

    Published in:

    Publication date :

    2004


    Size :

    5 Seiten, 14 Quellen




    Type of media :

    Article (Journal)


    Type of material :

    Print


    Language :

    English




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