Theoretical Approach to Structural Issues of Heavy Main-Group Element Compounds
| Project/Area Number |
22550028
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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 |
Organic chemistry
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| Research Institution | Tohoku University |
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Principal Investigator |
KIRA Mitsuo 東北大学, 大学院・理学研究科, 名誉教授 (40004452)
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| Project Period (FY) |
2010 – 2012
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| Project Status |
Completed (Fiscal Year 2012)
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| Budget Amount *help |
¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Fiscal Year 2012: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2011: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2010: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Keywords | 高周期典型元素化学 / π-σ* 軌道混合 / ビシクロブタン / 高周期14族元素化合物 / DFT計算 / ジシレン / ジゲルメン / π-σ^*混合モデル / 密度汎関数法 / 高周期典型元素 / ビシクロ[1.1.0]テトラシラン / 結合長異性体 |
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| Research Abstract |
Heavier group-14 elements like silicon and germanium form the same types of compounds with carbon but bonding and structural features of the former are often very different from those of the latter. In this study, unresolved issues in silicon structural chemistry are elucidated using qualitative MO theory and DFT calculations as tools. To get closer to the goal of constructing a new qualitative theory that is applicable to structural issues of heavier main-group element chemistry, several useful fundamentals were obtained during the present study.
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Report
(4 results)
Research Products
(31 results)
