Reaction and Electronic Properties of Novel Aromatic Seven-membered Heterocyclic Cation
| Project/Area Number |
20550044
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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 | Okayama University |
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Principal Investigator |
SATAKE Kyousuke Okayama University, アドミッションセンター, 教授 (50033387)
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| Project Period (FY) |
2008 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2010: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
Fiscal Year 2009: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2008: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
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| Keywords | 反応有機化学 / 2H-アゼピン / 3H-アゼピン / 非局在化陽イオン / π電子共役系 / 芳香族性 / 非ベンゼン系芳香族化合物 / アゼピニウムイオン / アザトロピリウムイオン / 芳香属性 / ab initio計算 / 開環加水分解反応 / フェニルナイトレン / アゼピニウム イオン / アザトロピリウム イオン / 芳香族陽イオン / 臭素化 / 非経験的分子軌道計算 / ab-initio計算 |
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| Research Abstract |
Synthesis of hitherto unknown azepiniumu ion was obtained by demethoxylation of 2-methoxy-2H-azepine derivatives which are prepared from 3H-azepines. Theoretical calculations based on B3LYP/6-31G* levels and NMR spectroscopic data supported that the ion must be an delocalized aromatic cation. Additionally, the experimental data to confirm the mechanism of intramolecular ring-enlargement reaction of phenylnitrene were obtained.
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Report
(4 results)
Research Products
(22 results)
