Perspective on quantifying electron localization/delocalization, non-linear optical response and vibrational analysis of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline
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DOI: 10.1016/j.molstruc.2017.06.060
Abstract: Abstract An organic nonlinear optical material 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline (DMBDNA) has been grown by slow evaporation technique. Vibrational spectral analysis has been carried out using FT Raman, FT-IR and UV–Vis spectroscopic techniques. The influence of intramolecular charge… read more here.
Keywords: benzaldehyde dinitroaniline; analysis; dimethylamino benzaldehyde; localization delocalization ... See more keywords
Vibrational Dynamics in crystalline 4-(dimethylamino) benzaldehyde: Inelastic Neutron Scattering and Periodic DFT Study
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DOI: 10.3390/ma15020475
Abstract: The structure and dynamics of crystalline 4-(dimethylamino) benzaldehyde, 4DMAB, are assessed through INS spectroscopy combined with periodic DFT calculations. The excellent agreement between experimental and calculated spectra is the basis for a reliable assignment of… read more here.
Keywords: periodic dft; methyl groups; dynamics crystalline; dimethylamino benzaldehyde ... See more keywords