We consider the potential use of Raman spectroscopy for the analysis of Polycyclic Aromatic Hydrocarbons (PAHs) that are found in diesel soots (Fetzer et al. 1986). Through first-principles calculations we have simulated the Raman spectra of several PAHs and we have discussed the possible discrimination of different molecular structures based on the analysis of the Raman spectrum.
A theoretical Raman study on Polycyclic Aromatic Hydrocarbons of environmental interest
TOMMASINI, MATTEO MARIA SAVERIO;ZERBI, GIUSEPPE
2010-01-01
Abstract
We consider the potential use of Raman spectroscopy for the analysis of Polycyclic Aromatic Hydrocarbons (PAHs) that are found in diesel soots (Fetzer et al. 1986). Through first-principles calculations we have simulated the Raman spectra of several PAHs and we have discussed the possible discrimination of different molecular structures based on the analysis of the Raman spectrum.File in questo prodotto:
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