Absorption Band - Band and Line Shape

Band and Line Shape

A wide variety of absorption band and line shapes exist, and the analysis of the band or line shape can be used to determine information about the system that causes it. In many cases it is convenient to assume that a narrow spectral line is a Lorentzian or Gaussian, depending respectively on the decay mechanism or temperature effects like Doppler broadening. Analysis of the spectral density and the intensities, width and shape of spectral lines sometimes can yield a lot of information about the observed system like it is done with Mössbauer spectra.

In systems with a very large number of states like macromolecules and large conjugated systems the separate energy levels can't always be distinguished in an absorption spectrum. If the line broadening mechanism is known and the shape of then spectral density is clearly visible in the spectrum, it is possible to get the desired data. Sometimes it is enough to know the lower or upper limits of the band or its position for an analysis.

For condensed matter and solids the shape of absorption bands are ofter determined by transitions between states in their continuous density of states distributions. For crystals the electronic band structure determines the density of states. In fluids, glasses and amorphous solids there is no long range correlation and the dispersion relations are isotropic. This makes density of states calculations of absorption band shapes easier. For charge-transfer complexes and conjugated systems the band width is determined by a variety of factors.