Characterization of dinaphthosulfoxide molecule

• Dinaphthosulfoxide examined experimentally and theoretically.
• The NMR and IR spectra have been calculated by using DFT method.
• The syn-dinaphthosulfoxide isomer has been found to be confirmed by the synthesized molecule.
• The SO part of the molecule confirmed in IR spectra.

Dinaphthosulfoxide has been synthesized, and confirmed by the experimental methods. The geometrical optimization of the two isomers of the molecule in their ground state was studied using density functional theory. Then, NMR and IR spectra were calculated for the optimized configurations. Analyzing the hydroxyl features in the NMR data and that of sulfoxide in IR spectra, the experimental observables are found to be in agreement with the properties of the syn isomer.

Figure optionsDownload as PowerPoint slide