Michigan Technological University
Department of Physics
is pleased to announce a colloquium
with
Peggy Norquist
Michigan Technological University
Graduate Student
Relativistic Configuration Interaction (RCI) Calculations for Lifetimes of 3s 3p^2 J=1/2 and 5/2 Levels in Au^{66+} and Br^{22+}
Earlier Multi-Configurational Dirac-Fock (MCDF) calculations by Huang (1982) for the lifetimes of these X-ray transitions had large errors in the energy differences between the levels. The errors (several eV) seemed to be larger than what could be expected from missing correlation effects. We have attempted to resolve the discrepancies between Huang’s calculations and experiment, using the newer version of the MCDF code, and the RCI method.
Raghava Panguluri
Michigan Technological University
Graduate Student
Study of Molecular Motions in Zeolites and Slow Rotational Motion of Cu2O in Fluid by Nuclear Magnetic Resonance
Two applications of NMR to study natural and man-made motion of molecules in situations of practical interest will be presented, the thermal molecular motion of molecules in the study of catalysis and the rotational motion of nanoscale particles to study fluid flow.
Among the many potential applications, zeolites are prominent in petrochemical industry as an active catalyst. A study of dynamics of absorbed molecular dynamics in complex zeolite framework is essential to understand the mechanisms for chemical reaction. Here, NMR lineshapes for C13 nuclei of acetonotrile absorbed molecule in chabazite and ferrierite zeolites as a function of temperature are presented. A proposed NMR lineshape model is discussed 1.
Cu2O, a non stoichiometric defect semiconductor, a potential material for solar cells has broad NMR spectra of 4MHz and hence is a suitable candidate to study slow rotational motion of these particles suspended in a fluid by the proposed NMR method. This requires nano or still small size particles. The preparation of Cu2O nanocryatals is presented along with the lineshape observed from these crystals suspended in toluene.
1. B. H. Suits, J. Sepa, R. J. Gorte, and David White, yet to be submitted
.Thursday, January 20, 2000
4:00 p.m. Fisher Hall 139
Refreshments will be served