Vibrational analysis of terephthalaldehyde from its IR and Raman spectra in isotropic and anisotropic solutions

Authors
Rogojerov, M Jordanov, B Keresztury, G
Citation
M. Rogojerov et al., Vibrational analysis of terephthalaldehyde from its IR and Raman spectra in isotropic and anisotropic solutions, J MOL STRUC, 550, 2000, pp. 455-465
Citations number
11
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
00222860 → ACNP
Volume
550
Year of publication
2000
Pages
455 - 465
Database
ISI
SICI code
0022-2860(20000905)550:<455:VAOTFI>2.0.ZU;2-R
Abstract
Vibrational analysis of terephthalaldehyde (TPA) has been carried out on th e basis of its IR and Raman spectra measured in isotropic and anisotropic ( nematic liquid crystal) solvents. Polarization spectra were recorded for th e purposes of the band assignment. Quantum chemical DFT (B3LYP/6-311G**) ca lculations were performed for theoretical prediction of the band positions, intensities and polarization properties of IR absorption bands. (C) 2000 E lsevier Science B.V. All rights reserved.