- Tytuł:
- IINS, MIR, and DFT Investigations of Vibrational Spectra of 3,3-Dimethyl-1-Butanol and 3,3-Dimethyl-2-Butanol
- Autorzy:
-
Juszyńska, E.
Hołderna-Natkaniec, K.
Massalska-Arodź, M.
Natkaniec, I.
Ściesińska, E.
Ściesiński, J. - Powiązania:
- https://bibliotekanauki.pl/articles/1813169.pdf
- Data publikacji:
- 2008-04
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.Pd
78.70.Nx
33.20.Ea - Opis:
- Molecular vibrational spectra in 3, 3-dimethyl-1-butanol, $(CH_3)_3$ $CCH_2CH_2OH$, and 3, 3-dimethyl-2-butanol, $(CH_3)_3CCHOHCH_3$, were measured by the inelastic incoherent neutron scattering and mid infrared spectroscopy and for 3, 3-dimethyl-2-butanol additionally by the far infrared absorption method. Experimental results were discussed and compared with the results of the quantum chemical calculations performed by the density functional theory (DFT/B3LYP/6-311G**) and semi-empirical PM3 calculation methods assuming the isolated molecule approximation.
- Źródło:
-
Acta Physica Polonica A; 2008, 113, 4; 1131-1143
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki