THEORETICAL STUDY OF VIBRATIONAL TRANSITION ATOM EXCHANGE REACTION, AND DISSOCIATION PROCESSES OF VIBRATIONALLY HIGHLY EXCITED MOLECULES BY IMPACT OF ATOMS

• Project/Area Number: 08640515
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: 物理学一般
• Research Institution: SCIENCE UNIVERSITY OF TOKYO
• Principal Investigator: ONDA Kunizo SCIENCE UNIVERSITY OF TOKYO, FACULTY OF INDUSTRIAL SCIENCE AND TECHNOLOGY, PROFESSOR, 基礎工学部, 教授 (50256674)
• Project Period (FY): 1996 – 1997
• Project Status: Completed (Fiscal Year 1997)
• Budget Amount: ¥1,800,000 (Direct Cost: ¥1,800,000); Fiscal Year 1997: ¥900,000 (Direct Cost: ¥900,000); Fiscal Year 1996: ¥900,000 (Direct Cost: ¥900,000)
• Keywords: ATOM-MOLUCULE COLLISION / VIBRATIONALLY EXCITED MOLECULES / DISSOCIATION / ATOM EXCHANGE REACTION / VIBRATIONAL TRANSITION / QUANTUM MECHANICAL STUDY / COLLINEAR COLLISION / 原子の組替え反応 / 分子の解離過程

Research Abstract

1. Collision system investigated. We have investigated collision systems of He + HィイD3+(/)2ィエD3 and H + HィイD22ィエD2, in which interaction potential energy surfaces are available with sufficient accuracy, under a collinear configuration at the total energy from 2 to 10 eV by solving the quantum mechanically proper Schrodinger equation with our numerically accurate method. We have studied collision dynamics for all the vibrational states of HィイD22ィエD2 as an initial vibrational state by exactly taking into account coupling among vibrational elastic and inelastic, atom exchange reaction, and dissociation channels. This is the first investigation for the H + HィイD22ィエD2 collision system with the realistic potential energy surface at the total energy above the dissociation energy of the HィイD22ィエD2 molecule.
2. Results. The following subjects have been investigated thoroughly and interesting results have been gained. Some of them have already been published and others are in preparation for publ ication.
(1) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD3+(/)2ィエD3(υィイD2iィエD2) on the total energy;
(2) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD3+(/)2ィエD3(υィイD2iィエD2) on the initial vibrational state υィイD2iィエD2;
(3) Isotope effect on collision dynamics between He and HィイD3+(/)2ィエD3(υィイD2iィエD2);
(4) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD22ィエD2(υィイD2iィエD2) on the total energy;
(5) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD22ィエD2(υィイD2iィエD2) on the initial vibrational state υィイD2iィエD2;
(6) Isotope effect on collision dynamics between He and HィイD22ィエD2(υィイD2iィエD2);
(7) Role of two-body and many-body interaction potentials in collision dynamics between atoms and molecules.

Research Products

• [Publications] Kunizo Onda, Kazuhiro Sakimoto: "Quantum mechanical study on energy dependence of probabilities of nonreactive vibrational transitions,atom exchange reaction,and disscociation in acollinear He+H^+_2 collision"Journal of Chemical Physics. 111. 988-996 (1999)
  • Description: 「研究成果報告書概要(和文)」より
• [Publications] KUNIZO ONDA and KAZUHIRO SAKIMOTO: "QUANTUM MECHANICAL STUDY ON ENERGY DEPENDENCE OF PROBABLITIES OF NONREACTIVE VIBRATIONAL TRANSITIONS, ATOM EXCHNGE REACTION, AND DISSOCIATION IN A COLLINEAR He + HィイD3+(/)2ィエD3 COLLISION"JOURNAL OF CHEMICAL PHYSICS. 111. 988-996 (1999)
  • Description: 「研究成果報告書概要(欧文)」より
• [Publications] H.Tawara(editor): "Present Status on Atomic and Molecular Data Relevant to Fusion Plasma Diagnosticsand Modeling" National lnstitute For Fusion Science, 211(62-76) (1997)