2012 Fiscal Year Final Research Report
Solvation of transition-metal ions and binding with biologically-relevant molecules as studied by infrared spectroscopy of gas-phase clusters
| Project/Area Number |
22550016
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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 | Kyushu University |
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Principal Investigator |
OHASHI Kazuhiko 九州大学, 大学院・理学研究院, 准教授 (80213825)
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| Project Period (FY) |
2010 – 2012
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| Keywords | クラスター / 遷移金属イオン / レーザー分光 / 赤外スペクトル / 密度汎関数理論 / 溶媒和構造 / 配位構造 / 水素結合 |
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| Research Abstract |
Infrared (IR) spectra were measured for solvated metal ions prepared and size-selected in the gas phase. Quantum chemical calculations were carried out for predicting geometric structures and IR spectra of the ions. For hydration and ammonia solvation of Ag, Ni, Co, Fe, and V, relationship was established between electron configurations of the central metals and coordination structures of the solvated ions. Preliminary calculations were also performed for complexes of transition-metal ions with biologically-relevant and functional molecules.
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