Fulminic acid, HCNO, is the higher energy isomer of isocyanic acid, HNCO. HCNO is produced in combustion environments via acetylene oxidation in the presence of nitric oxide. We have studied the kinetics of several radical reactions with HCNO using infrared laser spectroscopy, with emphasis on direct determinations of product channels. Our most recent work addresses the CN + HCNO reaction, which has many possible product channels. Ab initio calculations have suggested that HCN + NCO is the most accessible channel, but recent experimental work in our laboratory strongly indicates that HCCN + NO dominates. We believe that this system is too close to call by CCSD(T) methods, and that an accurate ab initio description of this reaction would require multireference methods.

Kinetic studies of the radical-molecule chemistry of fulminic acid

245th National Meeting (2013)

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