74705-61-6Relevant articles and documents
Crystal and Molecular Structure of the N-Oxyl Radicals 1,2-Dihydro-3-oxo-2,2-diphenyl-3H-indole 1-Oxyl and 1,2-Dihydro-2,2-diphenylquinoline 1-Oxyl. Attempted Calculation of Hyperfine Coupling Constants by the INDO-SCF-MO Method
Benassi, Rois,Taddei, Ferdinando,Greci, Lucedio,Marchetti, Leonardo,Andreetti, Giovanni Dario,et al.
, p. 786 - 791 (2007/10/02)
Theoretical calculations of hyperfine coupling constants of 1,2-dihydro-3H-3-oxoindole 1-oxyl and 1,2-dihydroquinoline 1-oxyl have been carried out using the semi-empirical INDO-SCF-MO method.The molecular geometries have been determined by X-ray analysis of 1,2-dihydro-3-oxo-2,2-diphenyl-3H-indole 1-oxyl and 1,2-dihydro-2,2-diphenylquinoline 1-oxyl.The application of the semi-empirical INDO-SCF-MO method is discussed.