Sc. Yu et al., INVESTIGATION OF THE REACTION COORDINATE FOR DISSOCIATION IN CR(CO)(6) USING RESONANCE RAMAN-SPECTROSCOPY, Bulletin of the Korean Chemical Society, 16(11), 1995, pp. 1043-1045
The overtone of the v(2) vibrational mode in Cr(CO)(6) are observed fo
r the first time in cyclohexane and methanol at both the 266 and 213 n
m excitations. The appearance of the overtones due to the displacement
of the electronic excited state with respect to the ground state alon
g the v(2) vibrational mode is interpreted in terms of wavepacket conc
ept and molecular orbital (MO) theory. Our Raman results suggest a new
interpretation for the excited state potential.