Preferred Label : photochemical reaction path;
IUPAC acronym : MERP;
IUPAC definition : sequence of geometries adopted by a molecule after initial electronic excitation,
combined with a specification of the electronic state at each geometry, from radiation
absorption to product formation. Theoretically, this usually involves the computation
of the MERP connecting the Franck–Condon point, located on the potential-energy surface
of the spectroscopic state, to the final photoproducts located on the ground-state
potential ?energy surface. Experimentally, a photochemical reaction path can be probed
by detecting transient species or reaction intermediates.;
Origin ID : PT07448;
See also
sequence of geometries adopted by a molecule after initial electronic excitation,
combined with a specification of the electronic state at each geometry, from radiation
absorption to product formation. Theoretically, this usually involves the computation
of the MERP connecting the Franck–Condon point, located on the potential-energy surface
of the spectroscopic state, to the final photoproducts located on the ground-state
potential ?energy surface. Experimentally, a photochemical reaction path can be probed
by detecting transient species or reaction intermediates.
