Molecular and crystal structure of 1,1′-diamino-2,2′-bipyridinium and 1,1′-diamino-4,4′-bipyridinium dimesitylenesulphonates: A combined experimental and theoretical study

► The first study of N,N′-diamino-dicationic salts by X-ray diffraction. ► DFT and RI-MP2 calculations give geometry of the dications similar to the experimental one. ► The value of HOMAd index for the dications indicates their aromatic character.