| Literature DB >> 15624911 |
Harry H Wasserman1, Kenneth B Wiberg, David L Larsen, Jonathan Parr.
Abstract
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.Entities:
Year: 2005 PMID: 15624911 DOI: 10.1021/jo040228v
Source DB: PubMed Journal: J Org Chem ISSN: 0022-3263 Impact factor: 4.354