Study of structural and electronic origin of ambergris odor of some compounds |
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Authors: | Li Ping Cheng Li Xu Hai Fang Mao Gen Li Wang |
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Affiliation: | (1) School of Chemical Engineering, Shanghai Institute of Technology, 120 Caobao Road, Shanghai, People’s Republic of China |
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Abstract: | The correlation between structural, stereochemical as well as electronic features and ambergris odor of some tricyclic ethers is established based on quantum chemical calculation method. A definite structural fragment (a “new ambergris triangle”) with certain electronic properties determining the origin of the odor is revealed. The influence of HOMO-LUMO energy gaps and total energies of some ambergris compounds on their odor intensity is investigated. |
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Keywords: | Ambergris Frontier molecular orbital (FMO) HOMO Odor intensity |
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