A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the 4A" Potential-Energy Surface
-
Abstract
The stereodynamics of the C+NO reaction is investigated at 0.06 eV by means of the quasi-classical trajectory method on a recent ab initio 4A" potential energy surface (PES). The influences of rotation excitation (j=0–3) on stereodynamics are discussed. The obtained stereodynamical information is compared with the previously reported results on the 2A' and 2A" PESs to give a full insight into the chemical stereodynamics of the title reaction.
Article Text
-
-
-
About This Article
Cite this article:
WEI Qiang. A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the 4A" Potential-Energy Surface[J]. Chin. Phys. Lett., 2015, 32(1): 013101. DOI: 10.1088/0256-307X/32/1/013101
WEI Qiang. A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the 4A" Potential-Energy Surface[J]. Chin. Phys. Lett., 2015, 32(1): 013101. DOI: 10.1088/0256-307X/32/1/013101
|
WEI Qiang. A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the 4A" Potential-Energy Surface[J]. Chin. Phys. Lett., 2015, 32(1): 013101. DOI: 10.1088/0256-307X/32/1/013101
WEI Qiang. A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the 4A" Potential-Energy Surface[J]. Chin. Phys. Lett., 2015, 32(1): 013101. DOI: 10.1088/0256-307X/32/1/013101
|