Azidoacetylene - interpretation of gas phase infrared spectra based on high-level vibrational configuration interaction calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp50268f
Azidoacetylene is a highly explosive substance, which has been synthesized and characterized for the first time quite recently [Banert et al. , Angew. Chem. , Int. Ed. , 2012, 51 , 7515]. As outlined in this work, the vibrational spectrum of azidoacetylene is dominated by strong couplings. For that...
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