ELECTRONIC SPECTRA AND STRUCTURE OF 2-BROMOPICOLINES, THEIR N-OXIDES AND 2-BROMO-4-NITROPICOLINE N-OXIDES

Abstract

The UV spectra of 2-bromopicolines, their N-oxides, and 2-bromo-4-nitropicoline N-oxides are presented and the influence of substituents on λ _max and ε _max of spectral bands are discussed. The electronic spectra were calculated using the modified INDO method. Transition energies, intensities, and assignments were compared with UV spectra. The degree of intramolecular CT in 2-bromopicoline N-oxides is greater than those in 2-bromopicolines and smaller than those in 2-bromo-4-nitropicoline N-oxides. The differences of the HOMO-LUMO energies indicate that the susceptibilities in the photochemical reaction lie in the order: 2-bromo-4-nitropicoline N-oxides>2-bromopicoline N-oxides>2-bromopicolines.

How to Cite
Puszko, A. Chem. Heterocycl. Compd. 1998, 34, 174. [Khim. Geterotsikl. Soedin. 1998, 34, 197.]

For this article in the English edition, see DOI https://doi.org/10.1007/BF02315180