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1999 | 96 | 3-4 | 399-407
Article title

A Model Calculation of Infrared Spectra in Cyclohexanol

Content
Title variants
Languages of publication
EN
Abstracts
EN
A model calculation based on semiempirical methods for the cyclohexanol molecules is presented. Energetically preferred molecular conformations and possibility of different hydrogen bond networks in the crystal are discussed. The calculated and the experimental infrared spectra are compared. The results corroborate earlier suggestions that the rich polymorphism of cyclohexanol is due to the existence of both axial and equatorial isomers in solid phases and different architecture of hydrogen bonds network.
Keywords
Year
Volume
96
Issue
3-4
Pages
399-407
Physical description
Dates
published
1999-09
received
1999-02-18
(unknown)
1999-05-18
References
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv96z309kz
Identifiers
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