Symmetry/Asymmetry of the NHN Hydrogen Bond in Protonated 1,8-Bis(dimethylamino)naphthalene

摘要: Experimental and theoretical results are presented based on vibrational spectra motional dynamics of 1,8-bis(dimethylamino)naphthalene (DMAN) its protonated forms (DMANH+ the DMANH+ HSO4− complex). The studies these compounds have been performed in gas phase solid-state. Spectroscopic investigations were carried out by infrared spectroscopy (IR), Raman, incoherent inelastic neutron scattering (IINS) experimental methods. Density functional theory (DFT) Car–Parrinello molecular (CPMD) methods applied to support our findings. fundamental hydrogen bridge vibrations accomplished basis isotopic substitutions (NH → ND). Special attention was paid bridged proton complex, which found be affected interactions with anion.