Study of the structural and electronic origin of the sandalwood odor of some terpenylcyclohexanols

摘要

Abstract The correlation between structural and electronic features and the sandalwood odor of some terpenylcyclohexanols is established on the basis of quantum chemical calculation methods. A definite structural fragment with electronic properties determining the origin of the odor is revealed. The effects of HOMO–LUMO energy gaps and total energies of some terpenylcyclohexanols on their odor intensity are investigated.