The esr and uv spectra of 2-, 3-, and 4-nitropyridine and 2-, 3-, and 4-nitropyridine N-oxide anion radicals in solution have been measured as well as the uv spectra of 2-, 3-, and 4-nitropyridine N-oxide neutral molecules in the same solvent. The results have been interpreted by application of a number of semiempirical quantum mechanical methods. By comparison of experimental and calculated data an assignment of visible and ultraviolet absorption bands to electronic transitions and of hyperfine splitting (hfs) coupling constants to magnetic nuclei is proposed.

Ultraviolet and Spin Resonance Spectra of Nitropyridines and Nitropyridine N-Oxides / A.Gamba, V.Malatesta, G.Morosi, C.Oliva, M.Simonetta. - In: THE JOURNAL OF PHYSICAL CHEMISTRY. - ISSN 0022-3654. - 77:23(1973), pp. 2744-2752.

Ultraviolet and Spin Resonance Spectra of Nitropyridines and Nitropyridine N-Oxides

C.Oliva;
1973

Abstract

The esr and uv spectra of 2-, 3-, and 4-nitropyridine and 2-, 3-, and 4-nitropyridine N-oxide anion radicals in solution have been measured as well as the uv spectra of 2-, 3-, and 4-nitropyridine N-oxide neutral molecules in the same solvent. The results have been interpreted by application of a number of semiempirical quantum mechanical methods. By comparison of experimental and calculated data an assignment of visible and ultraviolet absorption bands to electronic transitions and of hyperfine splitting (hfs) coupling constants to magnetic nuclei is proposed.
Settore CHIM/02 - Chimica Fisica
THE JOURNAL OF PHYSICAL CHEMISTRY
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/189692
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