Experimental Spin-Orbit State-Resolved Differential Cross Sections of the S(1D) + D2 → SD(2Π3/2,1/2) + D Reaction at Collision Energies of 266.2 and 206.5 cm-1

Yu Li; Heilong Wang; Zhirun Jiao; Hongtao Zhang; Bingbing Zhang; Xingan Wang; Chunlei Xiao; Xueming Yang

doi:10.1021/acs.jpca.4c06605

Experimental Spin-Orbit State-Resolved Differential Cross Sections of the S(¹D) + D₂ → SD(²Π_3/2,1/2) + D Reaction at Collision Energies of 266.2 and 206.5 cm^-1

J Phys Chem A. 2024 Nov 18. doi: 10.1021/acs.jpca.4c06605. Online ahead of print.

Authors

Yu Li^{1

2}, Heilong Wang¹, Zhirun Jiao^{1

2}, Hongtao Zhang^{1

3}, Bingbing Zhang^{1

4}, Xingan Wang^{5

3}, Chunlei Xiao^{1

5

3}, Xueming Yang^{1

6

4

5}

Affiliations

¹ State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023, China.
² School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China.
³ Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
⁴ Institute of Advanced Science Facilities, 268 Zhenyuan Road, Shenzhen 518107, China.
⁵ Hefei National Laboratory, Hefei 230088, China.
⁶ Department of Chemistry, and Center for Advanced Light Source, Southern University of Science and Technology, Shenzhen, Guangdong 518055, China.

PMID: 39555804
DOI: 10.1021/acs.jpca.4c06605

Abstract

The S(¹D) + D₂ → SD + D reaction is a prototype insertion chemical reaction that involves spin-orbit interactions in the exit channel. In this work, we report spin-orbit state-resolved differential cross sections (DCSs) of this reaction obtained by crossed beam experiments at collision energies of 266.2 and 206.5 cm^-1. The DCSs of specific rovibrational states exhibit a slight preference for forward scattering. When integrated over all rotational quantum states within each spin-orbit manifold, the total angular distributions of the two manifolds show nearly forward-backward symmetry, indicating that the deep well responsible for the long-living complex-forming mechanism predominates the entire reaction dynamics. Moreover, significant spin-orbit preference was observed at rotational quantum number N > 9 in the vibrationally ground state of SD products. It was also observed that SD products in the vibrationally excited state v' = 1 prefer to populate in the ²Π_3/2 manifold, with the ²Π_3/2/²Π_1/2 ratio of 15.8 and 25.2 at collision energies of 266.2 and 206.5 cm^-1, respectively. The experimental spin-orbit state-resolved DCSs obtained in this work will be of great importance for developing an accurate diabatic theory that includes spin-orbit interactions for this title reaction.