A combined crossed molecular beam and quasiclassical trajectory study of the Titan-relevant N(D-2) + D2O reaction

作者：Balucani Nadia; Cartechini Laura; Casavecchia Piergiorgio^*; Homayoon Zahra; Bowman Joel M

来源：Molecular Physics, 2015, 113(15-16): 2296-2301.

DOI：10.1080/00268976.2015.1028499

• atmospheric chemistry of Titan
• crossed beam experiments
• quasiclassical trajectory calculations

Following a recent investigation on the N(D-2) + H2O reaction [Homayoon et al., J. Phys. Chem. Lett. 5, 3508 (2014)], we report on an experimental and theoretical study of the isotopologue N(D-2) + D2O reaction. Crossed molecular beam (CMB) experiments were conducted at a collision energy of 10.3 kcal mol(-1). Quasiclassical trajectory calculations were performed on a recent potential energy surface to derive the centre-of-mass functions necessary to simulate the CMB laboratory distributions. Excellent agreement was found. The importance of the channel leading to HON/DON was confirmed. The inclusion of this channel, in addition to that leading to the isomer HNO/DNO, can affect the models considering the coupling between nitrogen and oxygen chemistry in the upper atmosphere of Titan.

• 出版日期2015-8-18
• 单位Perugia