Vibrational spectra and nonlinear optical properties of paracetamol

Аннотация

In this work, the vibrational spectra and nonlinear optical (NLO) properties of paracetamolwere analyzed using experimental and computational methods. The experimental FTIR andRaman spectra of paracetamol were compared with the recorded and simulated spectra. Thecalculations were performed at the B3LYP/6-311++G(d,p) level of density functional theory(DFT). The NLO parameters of paracetamol, such as the dipole moment, polarizability andfirst order polarizability, were calculated. The effect of vibrational modes on the NLO propertieswas also analyzed.

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Идентификаторы

DOI

10.52304/.v27i3.598

Цитирования и источники