2015 Fiscal Year Final Research Report
Creation of antiaromatic compounds by controlling the HOMO-LUMO energy gap
Project/Area Number |
26620037
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Research Category |
Grant-in-Aid for Challenging Exploratory Research
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Allocation Type | Multi-year Fund |
Research Field |
Organic chemistry
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Research Institution | Institute of Physical and Chemical Research |
Principal Investigator |
Muranaka Atsuya 国立研究開発法人理化学研究所, 内山元素化学研究室, 専任研究員 (20374902)
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Project Period (FY) |
2014-04-01 – 2016-03-31
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Keywords | 反芳香族性 |
Outline of Final Research Achievements |
Cyclic planar compounds with a 4nπ-electron system generally exhibit anti-aromaticity and paratropic ring current effects in their NMR spectra. Although 20π-electron hemiporphyrazines adopt a planar structure, their paratropic ring current effects are weak. In this study, antiaromatic hemiporphyrazines with strong paratropic ring current effects have been synthesized by controlling the HOMO-LUMO energy gap. A combined experimental and computational investigation revealed that there is a linear relationship between the magnitude of ring current effects and the reciprocal of the HOMO-LUMO energy gap.
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Free Research Field |
物理有機化学
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