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Resonance Raman spectroscopic study of bis‐azo pigments
Author(s) -
Dines Trevor J.,
Onoh Henrietta
Publication year - 2004
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1149
Subject(s) - raman spectroscopy , chemistry , pigment , resonance (particle physics) , excitation , ab initio , orange (colour) , spectral line , electronic structure , molecular electronic transition , nuclear magnetic resonance , analytical chemistry (journal) , computational chemistry , atomic physics , molecule , optics , physics , organic chemistry , food science , quantum mechanics , astronomy
The IR, resonance Raman (RR) and electronic spectra of two bis‐azo pigments, Pigment Yellow 13 and Pigment Orange 34 were interpreted in terms of hydrogen‐bonded hydrazo structures. Assignments of the vibrational and electronic spectra were facilitated by ab initio calculations at the B3‐LYP/DZ level. A qualitative assessment of relative RR band intensities, in conjunction with band assignments, revealed the geometric changes which occur upon electronic excitation. These are in accordance with the nature of the electronic transitions predicted by time‐dependent B3‐LYP/DZ calculations. Copyright © 2004 John Wiley & Sons, Ltd.