First-principles calculations of the far-infrared absorption spectrum of 4′-dimethylamino-N-methyl-4-stilbazolium tosylate

First-principles calculations of the phonon modes of 4′-dimethylamino-N-methyl-4-stilbazolium tosylate in the terahertz region were performed using periodic density functional calculations. The assignment of FIR-active modes provides fruitful ideas for the design and synthesis of promising derivatives.