A study on the charge-transfer excited states of coordinated species by application of DV-Xα molecular-orbital method DV-Xα法による配位化学種の電荷移動励起状態の研究
Access this Article
Search this Article
Author
Bibliographic Information
- Title
-
A study on the charge-transfer excited states of coordinated species by application of DV-Xα molecular-orbital method
- Other Title
-
DV-Xα法による配位化学種の電荷移動励起状態の研究
- Author
-
木村, 仁史
- Author(Another name)
-
キムラ, ヒトシ
- University
-
東京工業大学
- Types of degree
-
理学博士
- Grant ID
-
甲第2234号
- Degree year
-
1990-11-30
Note and Description
博士論文
Table of Contents
- 論文目録 / (0002.jp2)
- Table of Contents / p8 (0010.jp2)
- Chapter1 General Introduction / p1 (0013.jp2)
- Chapter2 The Discrete Variational(DV)-[化学式] Method / p9 (0021.jp2)
- 2.1 Introduction / p10 (0022.jp2)
- 2.2 Description of the theory / p13 (0025.jp2)
- References for Chapter2 / p19 (0031.jp2)
- Chapter3 The Lowest Metal-to-Bipyridine Charge-Transfer Excited State of 〔Cr(2,2'-bipyridine)(CO)₄〕 / p24 (0036.jp2)
- 3.1 Introduction / p25 (0037.jp2)
- 3.2 Computational details / p26 (0038.jp2)
- 3.3 Results and Discussion / p27 (0039.jp2)
- References for Chapter3 / p45 (0057.jp2)
- Chapter4 The Charge-Transfer-to-Solvent Excited States of Iodide Ion in Aqueous Solution / p76 (0088.jp2)
- 4.1 Introduction / p77 (0089.jp2)
- 4.2 Experimental section / p80 (0092.jp2)
- 4.3 Method of calculations / p83 (0095.jp2)
- 4.4 Results and discussion / p86 (0098.jp2)
- References for Chapter4 / p97 (0109.jp2)
- Chapter5 The Homolytic Cleavage of Mn-Mn Bond and Dissociation of One of the Coordinated Carbonyls by Electronic Excitations of Mn₂(CO)₁₀ / p113 (0125.jp2)
- 5.1 Introduction / p114 (0126.jp2)
- 5.2 Experimental Section / p116 (0128.jp2)
- 5.3 Method of molecular-orbital calculations / p117 (0129.jp2)
- 5.4 Results and discussion / p118 (0130.jp2)
- References for Chapter5 / p127 (0139.jp2)