Article ID Journal Published Year Pages File Type
5412854 Journal of Molecular Liquids 2010 6 Pages PDF
Abstract
Steady-state spectroscopic studies of ortho (-OCH3 and -OH) derivatives of methyl p-dimethylaminobenzoate indicate that molecules under study are capable of simultaneously creating locally excited (LE) and intramolecular charge transfer (ICT) excited states. The electric dipole moments of investigated compounds in the excited S1(LE) and S1(ICT) states were determined using the theory of solvatochromism, based on: (i) the solvent induced red-shifts of electronic absorption bands (in comparison to their positions in the gas phase), (ii) the solvatochromic shifts of absorption and fluorescence spectra as a function of dielectric constant (ε) and refractive index (n). Obtained experimental data were compared with theoretical results of quantum-chemical calculations, using the AM1 method implemented in the CAChe WS 5.04 program. Finally, the influence of polarizability on the determined dipole moment was analyzed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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