MOLECULAR G-VALUE, MAGNETIC PROPERTIES, AND THE GROUND STATE ELECTRONIC STRUCTURE OF FLUORACETYLENE.
Abstract
The first order molecular Zeeman effect observed in the J = 0 to J = 1 rotational transition of fluoroacetylene gives the magnitude of the molecular g-value perpendicular to the molecular axis to be 0.0071 plus or minus 0.0004. When combined with an estimate of the molar susceptibility, the molecular g-value leads to an average value of R sq for electrons from the center of mass of 37.9 x 10 to the - 16th power sq. cm. An upper limit on the magnitudes of the proton and fluorine spin-rotation interaction constants of 6-8 kHz was established by high-resolution, microwave line-width studies of the J=0 to J=1 transition. The ground electronic state of fluoroacetylene is described by a set of 11 hybrid molecular orbitals, employing various hybridization and ionic parameters. The results for the spin-rotation constants are consistent with the upper limit established by the line widths. Also, the theoretical value of r sq agrees very well with that determined experimentally. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 06, 1967
- Accession Number
- AD0651500
Entities
People
- H. D. Todd
- Herbert S. Gutowsky
- Mei-kuo Lo
- V. M. Weiss
- W. H. Flygare
Organizations
- University of Illinois Urbana–Champaign