The F+H_(2)reaction has long been a benchmark system in reaction dynamics.We report here a combined experimental and theoretical study on the F+H_(2)(v=1,j=1)reaction at a collision energy of 0.62 kcal/mol.The rotatio...The F+H_(2)reaction has long been a benchmark system in reaction dynamics.We report here a combined experimental and theoretical study on the F+H_(2)(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 experiment and the quantum dynamical calculation.It is found that the rotationally excited state F+H_(2)(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 stereodynamics of the F+H_(2)(v=1,j=1)reaction is also analyzed theoretically,showing that minor differences exist for the reactants initially prepared in different spatial alignments.展开更多
A new quantum scattering approach (linear combination of arrangement channels-scattering wavefunction,LCAC-SW) proposed by Deng and his co-workers is used to calculate collinear state-to-state reaction probabilities f...A new quantum scattering approach (linear combination of arrangement channels-scattering wavefunction,LCAC-SW) proposed by Deng and his co-workers is used to calculate collinear state-to-state reaction probabilities for the F + H-2(v)→HF(v')+H system.Several interesting problems such as threshold energy,compound states and enhance by translational energy of the reactants and the vibration excitation of products are discussed and they are compared with other theoretical investigations reported in the literature.It is shown that the LCAC-SW approach is the successful one of quantum scattering methods.展开更多
基金the National Natural Science Foundation of China(Nos.22288201,22173040,22241301,22103032)the Chinese Academy of Sciences(No.GJJSTD20220001),the Innovation Program for Quantum Scienceand Technology(No.2021ZD0303300)+2 种基金the Guangdong Science and Technology Program(Nos.2019ZT08L455,2019JC01X091)the Shenzhen Science and Technology Innovation Committee(Nos.JCYJ20210324103810029,20220815145746004,and 2021344670)the Shenzhen Science and Technology Program(No.DSYS20200421111001787).
文摘The F+H_(2)reaction has long been a benchmark system in reaction dynamics.We report here a combined experimental and theoretical study on the F+H_(2)(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 experiment and the quantum dynamical calculation.It is found that the rotationally excited state F+H_(2)(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 stereodynamics of the F+H_(2)(v=1,j=1)reaction is also analyzed theoretically,showing that minor differences exist for the reactants initially prepared in different spatial alignments.
基金Project supported by the National Natural Science Foundation of China (No. 29673026)the Ph.D. Special Foundation of Chinese Education Committee
文摘A new quantum scattering approach (linear combination of arrangement channels-scattering wavefunction,LCAC-SW) proposed by Deng and his co-workers is used to calculate collinear state-to-state reaction probabilities for the F + H-2(v)→HF(v')+H system.Several interesting problems such as threshold energy,compound states and enhance by translational energy of the reactants and the vibration excitation of products are discussed and they are compared with other theoretical investigations reported in the literature.It is shown that the LCAC-SW approach is the successful one of quantum scattering methods.
