Journal
Article title
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Abstracts
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.
Discipline
Journal
Year
Volume
Issue
Pages
399-407
Physical description
Dates
published
1999-09
received
1999-02-18
(unknown)
1999-05-18
Contributors
author
- H. Niewodniczański Institute of Nuclear Physics, Radzikowskiego 152, 31-342 Kraków, Poland
author
- H. Niewodniczański Institute of Nuclear Physics, Radzikowskiego 152, 31-342 Kraków, Poland
References
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv96z309kz