An experimental and computational study of the methyl formate radical ultraviolet spectrum

Ab initio molecular orbital theory is coupled with laser flash photolysis experiments to study the UV spectrum and absorption cross section of the methyl formate radical. The vertical excitation energies for four of methyl formate radical's excited states are calculated at the MRCl level of theory. In the region between 220 and 340 nm, two electronic transitions are identified to explain the experimental UV spectrum. (C) 2000 American Institute of Physics. [S0021-9606(00)31340-X].