Prediction of Properties and Behavior of Materials by Experimental-theoretical Studies Using Quantum Theory and Chemical Physics.
Abstract
The report briefly gives the progress of current research. The semiempirical SCF MO treatment (MINDO/2) has been further improved and applied with success to a number of chemical problems of topical interest. A high temperature photoelectron spectrometer has been constructed and is being used to measure ionization potentials of large aromatic molecules. 23Al and 35Cl nuclear quadrupole resonance spectra have been measured for a variety of alkylaluminum derivatives and organochlorine compounds. New organoboron polymers have been obtained which show good thermal stability. The rate of a typical molecular rearrangement is unaffected by solvent orientation when carried out in a nematic liquid crystal.
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 01, 1971
- Accession Number
- AD0732319
Entities
People
- Michael J. S. Dewar
Organizations
- University of Texas at Austin