Gaseous hetero dimers of perfluoro tert-butyl alcohol with hydrogenated alcohols by infrared spectroscopy and quantum DFT calculations
نویسندگان
چکیده
Infrared spectroscopy shows that perfluoro tert-butyl alcohol (TBF) forms hydrogen bonded hetero dimers with hydrogenated alcohols (Methanol, 1-butanol and Tert-butanol) in the gas phase at room temperature. DFT calculations confirm these findings providing structures, stabilization energies allow a first analysis of νOH spectra by considering only diagonal term anharmonicity vibration. The broad band-shapes vibration TBF molecule engaged heterodimer are discussed, vibrational relaxation.
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ژورنال
عنوان ژورنال: Chemical Physics
سال: 2021
ISSN: ['0301-0104', '1873-4421']
DOI: https://doi.org/10.1016/j.chemphys.2021.111110