Infrared Absorption Measurements of Conjugated Radical Ion Dimers and Analyses of Electron-Molecular Vibration Interactions
| Project/Area Number |
22550005
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Single-year Grants |
|---|
| Section | 一般 |
|---|
| Research Field |
Physical chemistry
|
|---|
| Research Institution | Saitama University |
|---|
Principal Investigator |
SAKAMOTO Akira 埼玉大学, 大学院・理工学研究科, 准教授 (90262146)
|
|---|
| Project Period (FY) |
2010 – 2012
|
| Project Status |
Completed (Fiscal Year 2012)
|
| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2010: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
|
|---|
| Keywords | 赤外吸収スペクトル / ラジカルイオン / 2価イオン / シクロファン分子 / ラジカルイオン二量体 / 電子-分子振動相互作用 / 電子－分子振動相互作用 |
|---|
| Research Abstract |
Infrared absorption spectra were observed for (1) radical cation, its dimer, and dication of2,5''-bis(methylthio)terthiophene and (2) radical cation of [3_4](1,2,4,5)cyclophane. The structures and vibrational properties (harmonic frequencies, vibrational patterns, and infrared intensities) were calculated for (1) the neutral molecule, radical cation and dication of 2,5''-bis(methylthio)terthiophene and (2) the neutral molecule and radical cation of [3_4](1,2,4,5)cyclophane by DFT method at B3LYP/6-311+G** level. We compared the observed infrared spectra with those calculated by DFT method and analyzed electron-molecular vibration interaction. The molecular vibrational modes which induce both intramolecular and intermolecular charge fluxes were observed with large infrared absorption intensities.
|
Report
(4 results)
Research Products
(54 results)
-
-
[Journal Article] Coordination structures of Mg^<2+> and Ca^<2+> in three types of tobacco calmodulins in solution: Fourier-transform infrared spectroscopic studies of side-chain coo- groups2013
Author(s)
N. Suzuki, L. F. Imai, Y. Kato, K. Nagata, Y. Ohashi, K. Kuchitsu, M. Tanokura, A. Sakamoto, M. Nara, M. Nakano, and N. Yonezawa
-
Journal Title
Biopolymers
Volume: 99
Issue: 7
Pages: 472-483
DOI
Related Report
Peer Reviewed
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
