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To the Knowledge of Interpseudohalogens: A Contribution to Cyanogen Isocyanate (NC–NCO)
Author(s) -
Schmidt Carsten L.,
Fischer Dieter,
Himmel HansJörg,
Köppe Ralf,
Schnöckel Hansgeorg,
Jansen Martin
Publication year - 2009
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200900031
Subject(s) - cyanogen , isocyanate , context (archaeology) , amorphous solid , molecule , crystallography , infrared spectroscopy , diffraction , chemistry , single crystal , solid state , matrix (chemical analysis) , materials science , organic chemistry , physics , polyurethane , optics , composite material , biology , paleontology
Cyanogen isocyanate (NC–NCO) has been prepared and studied using a combined experimental and theoretical approach. A crystalline film of the interpseudohalogen species was stabilized by vapor deposition on a cold substrate ( T = –100 °C). From IR spectroscopy on the “free” molecule, trapped in a matrix of solid argon, the connectivity and geometry of this unstable interpseudohalogen was deduced and substantiated by theoretical calculations. With this information, the crystal structure of NCNCO in the solid state could be analysed using powder X‐ray diffraction [ Pbca (No. 61), a = 7.63(1) Å, b = 6.50(2) Å, c = 6.03(6) Å; V = 299.5(1) Å 3 ]. The compound transforms into amorphous polymeric C 2 N 2 O at T > –68 °C. The results obtained were compared with recent findings and further discussed in the general context of C–N–(O) chemistry.