Naslov
Raman study of vibrational dynamics of aminopropylsilanetriol in gas phase

Autori
Volovšek, Vesna ; Dananić, Vladimir ; Bistričić, Lahorija ; Movre Šapić, Iva ; Furić, Krešimir

Izvornik
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (1386-1425) 117 (2014); 478-484

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
intramolecular hydrogen bond; anharmonic coupling; ring like structure

Sažetak
Raman spectrum of aminopropylsilanetriol (APST) in gas phase has been recorded at room temperature in macro chamber utilizing two-mirror technique over the sample tube. Unlike predominantly trans molecular conformation in condensed phase, the spectra of vapor show that the molecules are solely in gauche conformation with intramolecular hydrogen bond N  HO which reduces the molecular energy in respect to trans conformation by 0.152 eV. The assignment of the molecular spectra based on the DFT calculation is presented. The strong vibrational bands at 354 cm-1, 588 cm-1 and 3022 cm-1 are proposed for verifying the existence of the ring like, hydrogen bonded structure. Special attention was devoted to the high frequency region, where hydrogen bond vibrations are coupled to stretchings of amino and silanol groups.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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