Concentration dependence of the band profile parameters for the ν3(12C=O) Raman band of acetone in acetone–CCl4 binary mixtures: Experimental and Monte Carlo simulation results and their interpretation

Abstract

The concentration dependence of specific band profile parameters, i.e., bandwidth and asymmetry, of the isotropic and anisotropic components of the 3 ( 12 CvO) Raman band of acetone is investigated in the acetone-CCl 4 binary mixtures. Emphasis is mainly placed upon the comparison of the results obtained from Monte Carlo simulations with the experimental results obtained by Raman spectroscopy. The results on the concentration dependence of the bandwidth are interpreted within the lineshape theory of Bratos and Tarjus, while the results on the concentration dependence of the band asymmetry are examined with the help of the theoretical predictions given by Knapp and by Knapp and Fischer. We have found a good qualitative agreement between all the results.

An infrared spectroscopic study of hydrogen bonding in ethyl phenol: A model system for polymer phenolics

“…In ordered systems consisting of a finite number of such coupled oscillators, one observes a series of bands of systematically decreasing intensity that map the dispersion curve of the theoretically infinite oscillator chain. In disordered systems, one would expect to see a superposition of the effect of finite chain length and imperfect alignment, resulting in an asymmetric broadening of the observed vibrational mode on the low wavenumber side that in some cases appears as a resolvable shoulder [22,23]. The highly polar nature of hydrogen bonds and their preference for a (more or less) linear alignment would suggest that this might be what we are observing here.…”

Local order and vibrational coupling of the C=O Stretching Mode of γ-Caprolactone in liquid binary mixtures

“…The frequencies of the vibration depends on the strength and polarity of the vibrating bonds and are thus influenced by intra- and intermolecular interactions, vibrational spectroscopy is exceptionally sensitive to changes in bond strength since a change of 0.02% can be easily detected 16 . In binary liquid mixtures, the vibrational frequencies shift of both the isotropic(ν iso ) and anisotropic(ν aniso ) Raman components of the reference vibrational mode with the change of concentration provide useful information about solute–solvent interaction and intermolecular forces 17 – 19 . This kind of phenomenon is known as Raman noncoincidence effect (NCE), the NCE value(Δν nce ) is defined as Δν nce = ν aniso − ν iso 20 – 22 .…”

Vibrational studies of polar aprotic molecule in aromatic chemical and isotropic solvents: experimental and quantum chemical investigations

“…There is spectral change, change in wavenumber, bandwidth, intensity etc. of the reference vibrational Raman band of solute because of the perturbation induced by the solvent on further dilution of it . The change in bandwidth provides the dynamical information while peak wavenumber shift provides the static information.…”

“…The change in bandwidth provides the dynamical information while peak wavenumber shift provides the static information. These changes in binary mixture are because of the result of change in molecular structure, electronic structure, dipole moment respectively . In binary liquid mixture, the components of solvent may interact with the component of solute either by specific, such as hydrogen bonding and self‐association or non‐specific, such as dipole–dipole, dipole‐induced dipole, dispersion interactions etc .…”