Abstract
Polarized Raman spectroscopy is widely used to quantify the level of molecular
orientation of various types of materials. By using a simplified procedure we call
the depol (depolarization) constant (DC) method, since it assumes that the
depolarization ratio is a constant. However, our ability to quantify orientation by
using the DC method is often limited by the need for a completely isotropic sample
showing the same chemical and phase composition as the oriented sample of interest
to obtain information on the depolarization ratio. In this paper, we propose a new
method for orientation quantification, the most probable distribution (MPD) method,
based on the hypothesis that the population distribution is the most probable one.
In contrast to the conventional DC procedure, this new method does not require
knowledge of the depolarization ratio and eliminates the assumption that it does not
evolve on orientation. Simulations show the wide applicability of the MPD method for
large sections of the 〈<i>P</i><sub>2</sub>〉 〈<i>P</i><sub>4</sub>〉 diagram,
especially for coordinates that are most likely to be observed in experimental
conditions. They also highlight the significant inaccuracies produced by the
conventional DC method due to depolarization ratio errors.
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