title: Solid state linear dichroic infrared spectral analysis of benzimidazoles and their N(1)-protonated salts.
abstract: A stereo structural characterization of 2,5,6-thrimethylbenzimidazole (MBIZ) and 2-amino-benzimidaziole (2-NH(2)-BI) and their N(1) protonation salts was carried out using a polarized solid state linear dichroic infrared spectral (IR-LD) analysis in nematic liquid crystal suspension. All experimental predicted structures were compared with the theoretical ones, obtained by ab initio calculations. The C(s) to C(2v)(*) symmetry transformation as a result of protonation processes, with a view of its reflection on the infrared spectral characteristics was described.
authors.affiliation: University of Sofia, Department of Chemistry, 1164 Sofia, Bulgaria. ahbi@chem.uni-sofia.bg
authors.forename: B B
authors.initials: BB
authors.lastname: Ivanova
mesh_terms: D001562:Benzimidazoles / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D011522:Protons; D012492:Salts; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013057:Spectrum Analysis / Q000379:methods
chemical_list: D001562:Benzimidazoles; D011522:Protons; D012492:Salts