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Formyl Azide: Properties and Solid-State Structure

Authors

  • Dr. Xiaoqing Zeng,

    Corresponding author
    1. FB C—Anorganische Chemie, Bergische Universität Wuppertal, Gaussstrasse 20, 42119 Wuppertal (Germany)
    2. Permanent address: College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123 Suzhou (China)
    • FB C—Anorganische Chemie, Bergische Universität Wuppertal, Gaussstrasse 20, 42119 Wuppertal (Germany)
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  • Dr. Eduard Bernhardt,

    1. FB C—Anorganische Chemie, Bergische Universität Wuppertal, Gaussstrasse 20, 42119 Wuppertal (Germany)
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  • Dr. Helmut Beckers,

    Corresponding author
    1. FB C—Anorganische Chemie, Bergische Universität Wuppertal, Gaussstrasse 20, 42119 Wuppertal (Germany)
    • FB C—Anorganische Chemie, Bergische Universität Wuppertal, Gaussstrasse 20, 42119 Wuppertal (Germany)
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  • Prof. Dr. Klaus Banert,

    1. Technische Universität Chemnitz, Organische Chemie, Strasse der Nationen 62, 09111 Chemnitz (Germany)
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  • Dr. Manfred Hagedorn,

    1. Technische Universität Chemnitz, Organische Chemie, Strasse der Nationen 62, 09111 Chemnitz (Germany)
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  • Hailiang Liu

    1. Technische Universität Chemnitz, Organische Chemie, Strasse der Nationen 62, 09111 Chemnitz (Germany)
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  • This work was supported by the Deutsche Forschungsgemeinschaft (WI 663/26-1, BA 903/12-3). We gratefully acknowledge Prof. H. Willner (Universität Wuppertal) for generously supporting this work and helpful discussions, and Prof. G. Rauhut (Universität Stuttgart) for sharing the full set of anharmonic frequencies for HC(O)N3 calculated with the CCSD(T)-F12a method.

Abstract

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The simplest acyl azide, HC(O)N3, has been prepared as the neat substance and characterized by IR and Raman spectroscopy and low-temperature X-ray crystallography (see solid-state structure; C white, H gray, N blue, O red). Photolysis of the azide in CO-doped solid noble-gas matrices furnished the first experimental proof of the elusive parent acyl isocyanate HC(O)NCO.

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