The CRDS spectra for obtained from photolysis of at pressure of .
Line intensity of rotation at vs the incident laser energy. The origin point is taken into account for the linear regression fit.
Line intensity of rotation at vs the pressure from .
Ion images of the Br atoms photofragmented from at (a) 234 and (b) . The linearly polarized laser beam is along up and down directions.
The and Br dissociation channels of , in which the energies in kJ/mol relative to are computed with CCSD(T)/cc-pVTZ level of theory with zero-point energy corrections. The energies in parentheses are obtained at the level of . The vertical energies of and are computed with Davidson-corrected multireference CI/cc-pVTZ at optimized ground state geometry.
The optimized geometries of species along the and Br dissociation channels of on its adiabatic singlet ground state potential energy surface, in which the point group in parentheses, the length in angstrom, and the angle in degree.
The potential energy curves of the ground state and the first state along the distance between C and the center of two Br atoms, in which the two C–Br bonds are elongated symmetrically. The multireference CI/cc-pVTZ is applied with Davidson correction for the calculations.
Temperature dependence of the line intensity of the rotation at in photodissociation of at .
The calculated energies of the unrestricted optimized geometries for the and Br dissociation channels on the adiabatic singlet ground state potential energy surface of and the MRDCI/cc-pVTZ vertical energies with Davidson correction of and states.
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