An Account of the Site- and Regio-selectivity in the Reaction of Nitrile Oxides with Substituted p-Benzoquinones by Frontier Molecular Orbital Theory

Article abstract of DOI:10.1246/bcsj.57.1643

The 1,3-dipolar cycloaddition reactions of nitrile oxides with substituted p-benzoquinones are discussed in terms of Frontier Molecular Orbital (FMO) theory.The calculation is carried out by ab initio Self Consistent Field (SCF) method with STO-3G basis s