FLUOROCHROMATE (VI) OF PYRIDINIUM

The compound (BH)(CrO3F), where B = Pyridine, has been synthesized and characterized. This compound was prepared by reaction between chromiu m (VI) trioxide, hydrogen fluoride and organic base in aqueous medium, and characterized by infrared and electronic spectroscopy. The molecu lar and crystal structures have been determined by X-ray crystallograp hy: the compound is orthorhombic: Cmcm, a = 8.357(2), b 7.321(2), c=12 .138(3)Angstrom. The C5H5NH+ organic cations art: bound to the CrO3F- distorted tetrahedral anions by significant N-H ... O, C-H ... F and C -H ... O hydrogen-bonding interactions. The ab initio theoretical calc ulations of geometric optimization have been carried out using the Gau ssian 90 program. Experimental and theoretical results are compared.