Accession Number : AD0651500

Title :   MOLECULAR G-VALUE, MAGNETIC PROPERTIES, AND THE GROUND STATE ELECTRONIC STRUCTURE OF FLUORACETYLENE.

Descriptive Note : Technical rept.,

Corporate Author : ILLINOIS UNIV URBANA DEPT OF CHEMISTRY AND CHEMICAL ENGINEERING

Personal Author(s) : Weiss,V. M. ; Todd,H. D. ; Lo,Mei-Kuo ; Gutowsky,H. S. ; Flygare,W. H.

Report Date : 06 APR 1967

Pagination or Media Count : 33

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)

Descriptors :   (*ALKYNES, HALOGENATED HYDROCARBONS), (*HALOGENATED HYDROCARBONS, MOLECULAR SPECTROSCOPY), (*MOLECULAR ORBITALS, HALOGENATED HYDROCARBONS), (*NUCLEAR MAGNETIC RESONANCE, ALKYNES), MOLECULAR ENERGY LEVELS, GROUND STATE, ZEEMAN EFFECT, WAVE FUNCTIONS, NUCLEAR SPINS, INTERACTIONS, MICROWAVE SPECTROSCOPY, MASS, CHEMICAL BONDS

Subject Categories : Organic Chemistry
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE