Marcin Gronowski

Computational Chemistry

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C5N− anion and new carbenic isomers of cyanodiacetylene: A matrix isolation IR study

Products of the vacuum-UV photolysis of cyanodiacetylene HC5N in solid argon —the anion C5N−, imine HNC5, and the branched carbene C4(H)CN —have been identified by IR absorption spectroscopy, in addition to the already discovered isonitrile HC4NC. Spectral assignments were assisted by deuterium substitution experiments, by BD(T) calculations, and by the results of a recent density functional theory study.
Full text: J. Chem. Phys. 128 (2008) 154303

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