Abstract
The reaction rates of OH with H13CN and HC15N have been measured relative to that with H12C14N at 298 ± 2 K and 1013 ± 10 hPa in purified air by long-path FTIR spectroscopy; the 12C/13C and 14N/15N kinetic isotope effects were determined to be 0.9733 ± 0.0012 and 0.9840 ± 0.0016 (1σ), respectively. Ground-state potential energy hyper-surfaces of the reaction were investigated by quantum chemistry methods according to which the HCN + OH reaction proceeds via addition of OH to the carbon atom with a barrier height of 15.4 kJ mol−1. Master equation modelling of the reaction rate coefficient and kinetic isotope effects show good agreement with the experiments.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
