Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9770079 | Journal of Molecular Structure | 2005 | 5 Pages |
Abstract
The vibrational and electron absorption spectra of 4,4â²-azobis(pyridine N-oxide) have been studied with the help of density functional theory calculations to gain information on the molecular structure in solution. The molecules assume a trans-planar conformation in non-polar solvents, with a strong conjugation between the Ï electrons of the heteroaromatic rings and of the NN double bond. In polar solvents the molecules have still a center of symmetry, but the rings are not coplanar.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
M. Muniz-Miranda, B. Pergolese, G. Sbrana, A. Bigotto,