2012 Fiscal Year Final Research Report
Infrared Absorption Measurements of Conjugated Radical Ion Dimers and Analyses of Electron-Molecular Vibration Interactions
| Project/Area Number |
22550005
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Saitama University |
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Principal Investigator |
SAKAMOTO Akira 埼玉大学, 大学院・理工学研究科, 准教授 (90262146)
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| Project Period (FY) |
2010 – 2012
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| 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 |
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| 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.
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[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
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Journal Title
Biopolymers
Volume: 99
Pages: 472-483
DOI
Peer Reviewed
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