Vibrational spectra and molecular structure of 4,4′-azobis(pyridine N-oxide)

• Published in: Journal of molecular structure Vol. 744; pp. 339 - 343
• Main Authors: Muniz-Miranda, M., Pergolese, B., Sbrana, G., Bigotto, A.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 03.06.2005
• Subjects: 4,4′-Azobis(pyridine N-oxide); DFT calculations; Raman; UV–visible; IR; Raman; UV–visible; 4,4′-Azobis(pyridine N-oxide); DFT calculations

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...