The Dipole Moment and Polarizability in the <i>n</i>–π* Excited State of Acetone from Spectral Solvent Shifts

Abstract

Abstract This paper has presented the expression for the frequency shift, including the solvent refractive index and the dielectric constant; the expression has been determined on the basis of a previous paper (This Bulletin, 38, 1314 (1965)). According to the present theory and E. G. McRae’s theory (J. Phys. Chem., 61, 562 (1957)), the excited state dipole moment of acetone has been estimated to be 0.86 and 1.84 D respectively, both being smaller than the ground state value. The results calculated by the present theory show that the excited state polarizability is 163.1×10−25 cm3 and that the solvation energies in the solvents of n-heptane, cyclohexane, carbon tetra-chloride, ethyl ether, and methyl acetate are less in the ground states than in the excited states.