U.S.-Japan Cooperative Research: Electronic Structure Photodetachment Spectra, and Dynamics in Transition States of Chemical Reactions

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This award supports a two-year collaborative research project between Professor Mark S. Gordon of Iowa State University and Professor Kazuo Takatsuka of Nagoya University. Also involved on the U.S. side are Professor George Schatz of Northwestern University and Professor Vincent McKoy of the California Institute of Technology. In Japan Satoshi Yabushita of Hiroshima University and Kimihiko Hirao of Nagoya University are also involved. This project will address one of the most important new developments in chemistry during the past five years -- the experimental ability developed by Neumark and others to directly study reaction transition states by performing photodetachment of an electron from related anions and then studying the subsequent photodetachment spectroscopy and dynamics. The investigators, all theoretical chemists, will attack this problem from several complementary perspectives, including electronic structure theory, dynamics based on both time-dependent and time-independent formalisms, and photoionization spectroscopy and dynamics. By combining complementary expertise, the U.S. and Japanese groups will be able to develop insights that build on current collaborations.