Photoelectron spectroscopy of organic anions

COMP 4

W. Carl Lineberger, wcl@jila.colorado.edu, Department of Chemistry and Biochemistry, JILA and University of Colorado, 440 UCB, Boulder, CO 80309 and G. Barney Ellison, barney@jila.colorado.edu, Dept. Chemistry & Biochemistry and JILA, University of Colorado, 215 UCB, Boulder, CO 80309-0215.
Over the past 30 years, anion photoelectron spectroscopy has been an especially fertile arena for fruitful interactions between experimental measurements and quantitative theoretical determinations of the structure and energetics of small molecules. From the earliest studies of methylene, Bill Goddard, his students, and his GVB concepts have played prominent roles. In this lecture, we briefly review some of these past studies, and focus on current projects where the interplay between theory and experiment is especially productive. The areas of interest include spin states of carbenes, electron affinities, bond strengths of radicals, transition state spectroscopy, vibronic coupling in organic radicals, and Jahn Teller coupling. With the last three topics, we will emphasize new studies of cyclopentadiene and various azoles. Supported by NSF and AFOSR.