QUANTUM ORGANIC CHEMISTRY.
Abstract
Experimental data obtained have been correlated with quantum mechanical calculations in the development of molecular orbital methods for application to organic systems. Experimental solvolysis rates were obtained for a variety of polycyclic arylmethyl p-toluensulfonates in acetic acid. The final sigma-plus values gave satisfactory correlations with SCF-pi methods. Experimental results on protodetritiations of aromatic hydrocarbons in trifluoracetic acid were combined with results in the literature to produce a consistent scale of aromatic electrophilic substitution reactivities for a wide variety of compounds. The pi-systems alone gave good correlations both with SCF-pi and CNDO methods. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 01, 1970
- Accession Number
- AD0711100
Entities
People
- Andrew Streitwieser Jr.
Organizations
- University of California, Berkeley