Photooxidation of methylnaphthalenes.
Studies on the photooxidation of methyl-substituted aromatic hydrocarbons have revealed that whereas electron density is a determinant of endoperoxide formation, steric factors are most important in influencing the stability of the endoperoxide. Additional information on the energetics of the reactions and on the magnitude of the steric interactions was obtained using calculations at the B3LYP/6-311+G* level of theory.
Wasserman
Harry H
HH
Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA. harry.wasserman@yale.edu
Wiberg
Kenneth B
KB
Larsen
David L
DL
Parr
Jonathan
J