Study of structural and electronic origin of ambergris odor of some compounds
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 or...
Saved in:
Published in | Molecular modeling annual Vol. 15; no. 1; pp. 1 - 8 |
---|---|
Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
Berlin/Heidelberg : Springer-Verlag
2009
|
Subjects | |
Online Access | Get more information |
Cover
Loading…
Summary: | 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. |
---|---|
Bibliography: | http://dx.doi.org/10.1007/s00894-008-0363-3 |
ISSN: | 0949-183X |