Issue 3, 2003

Excited states of 4-dimethylaminopyridines: Magnetic circular dichroism and computational studies

Abstract

The ultraviolet transitions of 4-(dimethylamino)pyridine and its derivatives: 3-methyl-4-(dimethylamino)pyridine and 3,5-dimethyl-4-(dimethylamino)pyridine were investigated by electronic absorption and magnetic circular dichroism (MCD) spectroscopy, and by quantum chemical calculations. The ortho-methylation in the pyridine ring creates a steric hindrance to coplanarity. The resulting changes in the strength of the dimethylamino substitutent are reflected in the MCD spectra. Near-UV experimental data indicate a presence of three low-energy transitions, assigned to 1Lb, 1La and 1(n,π*) excited states. These results are corroborated by TD-DFT and INDO/S calculations.

Graphical abstract: Excited states of 4-dimethylaminopyridines: Magnetic circular dichroism and computational studies

Article information

Article type
Paper
Submitted
06 Nov 2002
Accepted
23 Dec 2002
First published
04 Feb 2003

Photochem. Photobiol. Sci., 2003,2, 187-194

Excited states of 4-dimethylaminopyridines: Magnetic circular dichroism and computational studies

I. Szydłowska, A. Kyrychenko, A. Gorski, J. Waluk and J. Herbich, Photochem. Photobiol. Sci., 2003, 2, 187 DOI: 10.1039/B210908E

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