title: Spectroscopic and structural elucidation of merocyanine dye 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate aggregation processes.
abstract: Structural and spectroscopic elucidation of merocyanine dye, 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate, is performed in gas and condense phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic liquid crystal suspension, UV-vis and fluorescence methods, HPLC MS/MS tandem and ESI mass spectrometry, (1)H, (13)C and (1)H-(1)H COSY NMR, TGV and DSC methods. Quantum chemical DFT calculations are performed for structural optimization and spectroscopic properties prediction.
authors.affiliation: Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstrasse 150, 44780 Bochum, Germany. BKoleva@chem.uni-sofia.bg
authors.forename: Bojidarka B
authors.initials: BB
authors.lastname: Koleva
authors.forename: Stanimir
authors.initials: S
authors.lastname: Stoyanov
authors.forename: Tsonko
authors.initials: T
authors.lastname: Kolev
authors.forename: Ivan
authors.initials: I
authors.lastname: Petkov
authors.forename: Michael
authors.initials: M
authors.lastname: Spiteller
mesh_terms: D002851:Chromatography, High Pressure Liquid; D019281:Dimerization; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D011744:Pyrimidinones / Q000138:chemical synthesis / Q000737:chemistry*; D011789:Quantum Theory; D013050:Spectrometry, Fluorescence; D021241:Spectrometry, Mass, Electrospray Ionization; D013053:Spectrophotometry; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet; D053719:Tandem Mass Spectrometry; D013816:Thermodynamics
chemical_list: D011744:Pyrimidinones; C003954:merocyanine dye