Infrared optical constants, molar absorption coefficients, dielectric constants, molar polarisabilities, transition moments and dipole moment derivatives of liquid N,N-dimethylformamide–carbon tetrachloride mixtures

The role of resonant coupling in vibrational sum-frequency-generation spectroscopy: Liquid acetonitrile at the silica interface

“…To determine an upper bound for the observed shift in the bulk isotropic Raman spectrum based on our simulations (vide infra), under the assumption that the entire shift arises from resonant coupling, we use a value of 0.013 D 2 for the square of the transition dipole. This value is within the range of those previously reported [70][71][72][73]. Given this value, we find that…”

Infrared spectroscopic monitoring of solid-state processes

“…For this reason, the Kramers–Kronig transformation is used to translate reflection to transmittance. 79–81…”

“…Thus, ATR spectra are not simply related to transmittance, and for this translation the Kramers–Kronig transformation is required, which resolves the real from imaginary part of the complex refraction index, and absorbance is then obtained from κ . 80,100 Further, attenuation by the sample, which is to a higher or lower extent present in the whole spectral region, causes R () < 1, and is given by: R = (1 − a ) N R where a is an absorption parameter and N R the effective number of reflections, which is obtained from the N , defined by the geometry of ATR element of thickness D :which is corrected by taking into account experimental conditions, such as convergence of the beam, diffraction of the parallel polarized component of incident radiation etc. 101 However, for the purposes of in situ measurements, since only the relative values with respect to the reference spectrum are of importance, these considerations are not required in the majority of cases.…”