| Project/Area Number |
05403006
|
|---|
| Research Category |
Grant-in-Aid for General Scientific Research (A)
|
| Allocation Type | Single-year Grants |
|---|
| Research Field |
Physical chemistry
|
|---|
| Research Institution | KYOTO UNIVERSITY |
|---|
Principal Investigator |
NAKATSUJI Hiroshi Graduate School of Engineering, Kyoto University Professor, 工学研究科, 教授 (90026211)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
NAKATI Hiromi Graduate School of Engineering, Kyoto University Assistant, 工学研究科, 助手 (00243056)
HADA Masahiko Graduate School of Engineering, Kyoto University Associate Professor, 工学研究科, 助教授 (20228480)
|
|---|
| Project Period (FY) |
1993 – 1995
|
| Project Status |
Completed (Fiscal Year 1995)
|
| Budget Amount *help |
¥15,400,000 (Direct Cost: ¥15,400,000)
Fiscal Year 1995: ¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 1994: ¥4,500,000 (Direct Cost: ¥4,500,000)
Fiscal Year 1993: ¥8,600,000 (Direct Cost: ¥8,600,000)
|
|---|
| Keywords | Surface Photochemistry / Dipped Adcluster Model / SAC / SAC-CI Method / Photostimulated Desorption / SERS / STM / Catalytic Reaction / Quantum Chemistry / SAC-Cl法 / 光分解反応 / 表面光化学反応 / SAC / 光触媒反応 / 非断熱遷移 / surface photochemistry |
|---|
| Research Abstract |
Surface photochemistry is a newly developing field in surface chemistry and photochemistry. Recently, much effort has been devoted to clarify molecular processes in surface photochemical reactions. Clarifications of the electronic mechanisms of these processes are very important for understanding and designing specific photocatalytic reactions on a solid surface. In this research project, we have studied several subjects concerning not only metal surfaces but also metal complexes by quantum chemical methods. They are divided into four categories ; i.e., 1.Photochemical processes on metal surfaces, 2.Catalytic reactions on metal and metal oxide surfaces, 3.Electronic spectra of metal complexes, and 4.Photochemical reactions of metal complexes. The dipped adcluster model (DAM) is used for modeling the surface-molecule interacting system. The electronic structures in the ground and excited states of the surface-molecule systems are calculated by the symmetry adapted cluster (SAC) and SAC-configuration interaction (SAC-CI) methods, respectively.
|
