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

DOI: 10.1246/bcsj.57.1643

Source and publish data:

Bulletin of the Chemical Society of Japan p. 1643 - 1649 (1984)

Update date:2022-08-05

Topics: Regio-selectivity Site-selectivity Substituted p-benzoquinones Nitrile oxides Frontier Molecular Orbital Theory

Authors:

Hayakawa, T.

Araki, K.

Shiraishi, S.

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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

Full text of DOI:10.1246/bcsj.57.1643

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