NMR studies of bond orders in heteroaromatic systems

…, PM Hatton, S Sternhell

Index: Hatton, Paul M.; Sternhell, Sever Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 4 p. 935 - 946

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Citation Number: 12

Abstract

Abstract Fifty-seven values for the ortho-benzylic coupling constant 4 J Me [BOND] C [DOUBLE BOND] C [BOND] H (henceforth denoted as 4 J OB) were obtained for a variety of heteroaromatic systems. It was shown that a good correlation exists between 4 J OB when the methyl group is not α to the heteroatom and the SCF-MO bond order. This method can therefore be used as an experimental means of determining bond orders in ...