Barfield, Michael published the artcileBond-order dependence of orthobenzylic coupling constants involving a methyl group [4J(MeC-CH)], Application of Pyrene-2-carboxylic acid, the main research area is spin coupling bond order relation; NMR bond order relation; methyl aromatic NMR bond order relation; orthobenzylic coupling bond order relation.
A relation between exptl. measured orthobenzylic coupling constants (Job) in a series of methyl-substituted aromatic hydrocarbons was examined by using extensive, accurate data and a variety of criteria for the π-bond orders of the C1-C2 bonds. The best linear correlations of Job were found with squares of the SCF MO bond orders and with the Pauling (VB) bond orders, as would be expected from the theor. expressions for coupling constants within the average-energy approximation In fact, the standard deviation in the correlation of the Job with the Pauling bond order is almost within the exptl. error of the measurements (0.06 Hz). Thus, Job emerge as an exptl. criterion for examining π-bond orders in conjugated systems.
Journal of the American Chemical Society published new progress about Bond order. 36428-96-3 belongs to class chlorides-buliding-blocks, name is Pyrene-2-carboxylic acid, and the molecular formula is C17H10O2, Application of Pyrene-2-carboxylic acid.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics