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Quantum-chemical investigation of spatial and electronic structure of verdazyl and its derivatives (1979)

Markovsky, L. N. ; Polumbrik, O. M. ; Nesterenko, A. M.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 16 (1979), S. 891-895

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The unrestricted HF method in the INDO approximation with optimized geometry was used to describe the electronic structure of the hetero-ring of verdazyl and the derivatives of the latter. The results obtained are in good agreement with the experimental EPR spectra of triphenylverdazyl radical and its dipole moment. These data may be a basis for understanding and predicting the chemical properties and reactivity of verdazyl and its derivatives.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560160423

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