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振动激发的F+H2(v=1,j=1)→HF+H反应在碰撞能0.62 kcal/mol时的转动激发效应

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F+H2反应长期以来一直是反应动力学研究的基准体系.本文报告了对碰撞能量为0.62 kcal/mol的F+H2(v=1,j=1)反应的实验和理论结合的研究.通过交叉束实验和量子动力学计算获得了转动态分辨的微分截面和积分截面.研究发现,与相同总能量下的转动基态反应相比,转动激发态F+H2(v=1,j=1)反应生成转动较热但振动较冷的产物.本文还对F+H2(v=1,j=1)反应的立体动力学进行了理论分析,结果表明,对于不同初始空间取向的反应物,反应得到的产物布居存在微小的差异.
Effects of Rotational Excitation on Vibrationally Excited Reaction of F+H2(v=1,j=1)→HF+H at Collision Energy of 0.62 kcal/mol
The F+H2 reaction has long been a benchmark system in reaction dy-namics.We report here a combined experimental and theoretical study on the F+H2(v=1,j=1)reaction at a collision energy of 0.62 kcal/mol.The rotational state-resolved differential cross sections(DCSs)as well as the integral cross sections(ICSs)were obtained by the crossed beam experi-ment and the quantum dynamical calculation.It is found that the rotationally excited state F+H2(v=1,j=1)reaction produces rotationally hotter but vibrationally colder products,compared with the rotational ground state reaction at the same total energy.The stereody-namics of the F+H2(v=1,j=1)reaction is also analyzed theoretically,showing that minor dif-ferences exist for the reactants initially prepared in different spatial alignments.

F+H2Vibrationally excited reactionCrossed beam experimentStereodynam-icsRotational excitation

王威、谢雨润、黄龙、杨天罡、刘舒、肖春雷、张东辉、杨学明

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中国科学院大连化学物理研究所,分子反应动力学国家重点实验室,大连 116023

中国科学院大学化学科学学院,北京 100049

深圳综合粒子设施研究院,深圳 518107

南方科技大学理学院,深圳 518055

合肥国家实验室,合肥 230088

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F+H2反应 振动激发反应 交叉分子束实验 立体动力学 转动激发

2024

化学物理学报(英文版)
中国物理学会

化学物理学报(英文版)

CSTPCDEI
影响因子:0.162
ISSN:1674-0068
年,卷(期):2024.37(6)