Infrared nitrogen-perturbed NO linewidths in a temperature range of atmospheric interest: An extension of the exact trajectory model - art. no. 012708

摘要

Infrared NO-N-2 line-broadening coefficients for the fundamental 1-0 band an nb initio computed by means of the exact trajectory model extended to the case of a symmetric top active molecule. As intermolecular potential, the sum model composed of long-range dipole-quadrupole and quadropole-quadrupole interactions as well as short-range atom-atom interactions, is taken. Line-broadening coefficients for both R and P branches of diamagnetic (2)Pi (1/2) and paramagnetic (2)Pi (3/2) sub-bands are reported for various temperatures in the range 163-296 K, thus significantly improving available theoretical results in the common temperature domain, while proposing values for temperatures that as yet have not been studied. The computed results are found to be in good agreement with a bulk of the experimental data. [References: 26]