Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9769956 | Journal of Molecular Structure | 2005 | 16 Pages |
Abstract
The main purpose of this paper is to present accurate infrared integrated intensities of liquid toluene, C6H5CH3, at 25 °C. Also presented are the decadic molar absorption coefficients, Em, the real and imaginary dielectric constants, εⲠand εâ³, and the real and imaginary molar polarizabilities, αâ²m and αâ³m. Integrated intensities were determined as Cj, the area under bands in the νËαâ³m spectrum, for all bands between 4800 and 440 cmâ1. The contributions from the different bands were separated by fitting the spectrum with classical damped harmonic oscillator bands. The uncertainties in the integrated intensities of most bands are estimated to be 5-10%, with the uncertainties in very weak bands and in shoulders possibly up to 100%. The intensity that should be assigned to the fundamentals is more difficult to estimate due to Fermi resonance with overtone and combination bands, and a best estimate is given. The integrated intensities of the fundamental vibrations and the corresponding transition dipole moments are summarized and are compared with literature values for the gas.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
John E. Bertie, Yoram Apelblat, C. Dale Keefe,