Vibrational spectra and molecular structure of 4,4′-azobis(pyridine N-oxide)
2005
Abstract The vibrational and electron absorption spectra of 4,4′-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 π electrons of the heteroaromatic rings and of the N N double bond. In polar solvents the molecules have still a center of symmetry, but the rings are not coplanar.
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