Optical constants, dielectric constants, molar absorption coefficients, molar polarizability, vibrational assignment and transition moments of liquid iodobenzene between 4000 and 400 cm−1 at 25 °C

This paper reports the complex refractive index, molar absorption coefficient and imaginary molar polarizability spectra of liquid iodobenzene at 25 °C. The imaginary molar polarizability spectrum was fitted with 184 classical damped harmonic bands to determine the integrated intensity of the individual transitions. The standard deviation of the fitted spectrum from the experimental spectrum is 0.024 cm3 mol−1, and the R2 value of the fit is 0.9968 indicating that the fitted spectrum is an accurate representation of the experimental spectrum. The dipole moment derivatives with respect to the normal coordinates and transition moments were determined for 26 of the 30 fundamentals. The total intensities of the in-plane and out-of-plane fundamentals were compared to benzene and other monosubstituted benzene derivatives using the F-sum rule. It was found that the total intensity of the out-of-plane fundamentals is essentially the same for the different compounds while the total intensities for the in-plane fundamentals varies according to the electronegativities of the substituents.