A study of the reaction of N+ with O2: experimental quantification of NO+(a 3Sigma+) production (298-500 K) and computational study of the overall reaction pathways.

@article{Midey2006ASO,
  title={A study of the reaction of N+ with O2: experimental quantification of NO+(a 3Sigma+) production (298-500 K) and computational study of the overall reaction pathways.},
  author={Anthony J. Midey and Albert A Viggiano and Peng Zhang and Stephan Irle and Keiji Morokuma},
  journal={The journal of physical chemistry. A},
  year={2006},
  volume={110 9},
  pages={3080-6}
}
The product branching ratios for NO+(X 1Sigma+) and NO+(a 3Sigma+) produced from the reaction of N+ with O2 have been measured at 298 and 500 K in a selected ion flow tube. Approximately 0.5% of the total products are in NO+(a) at both temperatures, despite the fact that the reaction to form NO+(a) is 0.3 eV exothermic. High-level ab initio calculations of the potential energy surfaces for the N+ + O2 reaction show that the reaction from N+(3P) + O2(3Sigma(g)) reactants starts with an efficient… CONTINUE READING