A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the 4A″ Potential-Energy Surface. (14th January 2015)

• Record Type: Journal Article
• Authors: Wei, Qiang
• Is Part Of: Chinese physics letters. Volume 32:Number 1(2015:Jan.)
• Page Start: 013101
• Publication Date: 2015-01-14
• Subjects: Physics -- Periodicals; Electronic journals; 530.05
• DOI: 10.1088/0256-307X/32/1/013101
• Languages: English
• ISSNs: 0256-307X

Abstract

Abstract: The stereodynamics of the C+NO reaction is investigated at 0.06 eV by means of the quasiclassical trajectory method on a recent ab initio 4 A″ 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 2 A' and 2 A″ PESs to give a full insight into the chemical stereodynamics of the title reaction.