Quasi-classical trajectory approach to the influence of the rotational excitation on the stereodynamics of the reaction O+HBrOH+Br | Zendy

Hong Li | Zendy; Zheng Bin | Zendy; Meng Qing-Tian | Zendy

Open Access

Quasi-classical trajectory approach to the influence of the rotational excitation on the stereodynamics of the reaction O+HBrOH+Br

Author(s) -

Hong Li,

Zheng Bin,

Meng Qing-Tian

Publication year - 2012

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.61.153401

Subject(s) - excitation , physics , polarization (electrochemistry) , atomic physics , potential energy surface , trajectory , rotational partition function , quantum , product distribution , rotational energy , collision , quantum mechanics , chemistry , excited state , molecule , rotational–vibrational spectroscopy , biochemistry , catalysis , computer security , computer science

Quasi-classical trajectory method is used to investigate the influence of rotational excitation on the vector properties of the dynamics for the reaction O+HBrOH+Br based on the abinitio potential energy surface. At the collision energy 0.3 eV, we discuss the polarization-dependent differential cross sections (PDDCSs), the distribution P(r) describing k - j correlation, and the distribution P(r) describing k - k- j correlation. The calculated results suggest that the product rotational polarization becomes weaker as the rotational quantum number increases and the products are mainly forward scattered.

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