Role of the (H2O)n (n = 1–3) cluster in the HO2 + HO → 3O2 + H2O reaction: mechanistic and kinetic studies

Author:

Zhang Tianlei12345ORCID,Lan Xinguang12345,Qiao Zhangyu12345,Wang Rui12345,Yu Xiaohu12345ORCID,Xu Qiong12345,Wang Zhiyin12345,Jin Linxia12345,Wang ZhuQing6785

Affiliation:

1. Shaanxi Key Laboratory of Catalysis

2. School of Chemical & Environment Science

3. Shaanxi University of Technology

4. Hanzhong

5. P. R. China

6. Analytical and Testing Center

7. Sichuan University of Science & Engineering

8. Zigong 643000

Abstract

Upon incorporation of the catalyst (H2O)n (n = 1–3) into the reaction HO2 + HO → H2O + 3O2, the catalytic effects of water, water dimer, and water trimer mainly arise from the contribution of a single molecule of water vapor.

Funder

National Natural Science Foundation of China

Sichuan University of Science and Engineering

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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