- Tytuł:
- A Model Calculation of Infrared Spectra in Cyclohexanol
- Autorzy:
-
Nowina Konopka, M.
Wasiutyński, T. - Powiązania:
- https://bibliotekanauki.pl/articles/2011075.pdf
- Data publikacji:
- 1999-09
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
61.50.Ah
63.20.Dj
78.20.Bh
78.30.Jw
78.30.Ly - Opis:
- 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.
- Źródło:
-
Acta Physica Polonica A; 1999, 96, 3-4; 399-407
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł