The many faces of vibrational energy relaxation in N2(v) + O(1D) collisions: Dynamics on 1Π and 1Δ potential energy surfaces
文献类型：期刊论文
| 作者 | Hong QZ(洪启臻)2; Bartolomei, Massimiliano3; Pirani, Fernando4; Sun QH(孙泉华)2,5; Coletti, Cecilia1 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2025-03-21 |
| 卷号 | 162期号:11页码:16 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/5.0255380 |
| 通讯作者 | Coletti, Cecilia(ccoletti@unich.it) |
| 英文摘要 | Complete datasets of rate coefficients for the vibrational quenching of molecular nitrogen by collision with electronically excited atomic oxygen O(D-1) over a wide temperature range are calculated for the first time. Such data are important ingredients in the modeling of non-local thermal equilibrium conditions that characterize the atmosphere, media of astronomical interest, and cold and hot plasmas, where O(D-1), also formed when O-2 molecules break, represents a significant fraction of the gas mixture. To this end, we developed analytical potential energy surfaces (PESs) for the (1)Pi and (1)Delta electronic states of the N-2-O(D-1) system to accurately describe the interaction in the long, medium, and first repulsive range of intermolecular distances, the most effective regions in inelastic collisions under a variety of conditions of interest. The derived PESs are used to calculate the vibration-to-translation (V-T) and vibration-to-electronic (V-E) energy transfer rates by mixed quantum-classical dynamics and by the Landau-Zener formulation, respectively. In addition, the datasets are extended to cover the entire N-2 vibrational ladder by using the Gaussian process regression. The results show that at low temperatures, where V-E relaxation dominates, N-2 vibrational quenching by O(D-1) collisions is faster than by O(P-3) collisions. |
| 分类号 | 二类/Q1 |
| WOS关键词 | AB-INITIO MO ; RATE CONSTANTS ; ATOMIC OXYGEN ; CROSS-SECTIONS ; OPEN-SHELL ; O-2 ; SURFACE ; O(D-1) ; STATES ; BEAMS |
| 资助项目 | Strategic Priority Research Program of the Chinese Academy of Sciences[XDB0620201] ; Chinese Academy of Sciences Project for Young Scientists in Basic Research[YSBR-107] ; China Postdoctoral Science Foundation[2022M723233] ; National Natural Science Foundation of China[12302391] ; Spanish Ministerio de Ciencia e Innovacion[PID2020-114654GB-I00] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001448184700001 |
| 资助机构 | Strategic Priority Research Program of the Chinese Academy of Sciences ; Chinese Academy of Sciences Project for Young Scientists in Basic Research ; China Postdoctoral Science Foundation ; National Natural Science Foundation of China ; Spanish Ministerio de Ciencia e Innovacion |
| 其他责任者 | Coletti, Cecilia |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/100712]  |
| 专题 | 力学研究所_高温气体动力学国家重点实验室 |
| 作者单位 | 1.Univ G dAnnunzio, Dipartimento Farm, Via Vestini, I-66100 Chieti, Pescara, Italy 2.Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China; 3.Inst Fis Fundamental CSIC, C-Serrano 123, Madrid, Spain; 4.Univ Perugia, Dipartimento Chim Biol & Biotecnol, Via Elce Sotto 8, I-06123 Perugia, Italy; 5.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Hong QZ,Bartolomei, Massimiliano,Pirani, Fernando,et al. The many faces of vibrational energy relaxation in N2(v) + O(1D) collisions: Dynamics on 1Π and 1Δ potential energy surfaces[J]. JOURNAL OF CHEMICAL PHYSICS,2025,162(11):16. |
| APA | 洪启臻,Bartolomei, Massimiliano,Pirani, Fernando,孙泉华,&Coletti, Cecilia.(2025).The many faces of vibrational energy relaxation in N2(v) + O(1D) collisions: Dynamics on 1Π and 1Δ potential energy surfaces.JOURNAL OF CHEMICAL PHYSICS,162(11),16. |
| MLA | 洪启臻,et al."The many faces of vibrational energy relaxation in N2(v) + O(1D) collisions: Dynamics on 1Π and 1Δ potential energy surfaces".JOURNAL OF CHEMICAL PHYSICS 162.11(2025):16. |
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来源：力学研究所
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