THE SINGLE CRYSTAL STRUCTURE OF AN ORGANIC TETRACATION: TETRAKIS(4-DIMETHYLAMINOPYRIDINIUM)-p-BENZOQUINONE TETRAKIS(TRIFLATE)

Article abstract of DOI:10.1016/S0040-4039(00)61094-8

The structure of the dark red title salt shows a distorted planar quinone ring with CC bonds of 133, 147 and 153 pm length and distorted pyridine rings twisted by 56 deg or 63 deg with ipso angles of 116 deg; it can be largely rationalized both by structure comparison with other p-benzoquinone derivatives or pyridinium salts and by MNDO calculations, which suggest that an extensive delocalization of the four positive charges may contribute to its stability. Key words: Amino-p-benzoquinones, crystal structure, MNDO calculations