Theoretical and experimental vibrational spectroscopy study on rotational isomer of 4-phenylbutylamine
Turkish Physical Society 32nd International Physics Congress, TPS 2016, Konacik-Bodrum, Turkey, 6 - 09 September 2016, vol.1815, (Full Text)
- Publication Type: Conference Paper / Full Text
- Volume: 1815
- Doi Number: 10.1063/1.4976469
- City: Konacik-Bodrum
- Country: Turkey
- Bilecik Şeyh Edebali University Affiliated: Yes
Abstract
© 2017 Author(s).The possible four stable rotational isomers of 4-phenylbutylamine (4PBA) molecule were experimentally and theoretically studied by vibrational spectroscopy. The FT-IR (4000-400 cm-1) and Raman (3700-60 cm-1) spectra of 4PBA were recorded at room temperature in liquid phase. The complete vibrational wavenumbers and corresponding vibrational assignments of 4PBA molecule were discussed assisted with B3LYP/6-311++G(d,p) level of theory along with scaled quantum mechanics force field (SQM-FF) method. Results from experimental and theoretical data the most stable form of 4PBA molecule was obtained.