FLUOROCHROMATE (VI) OF PYRIDINIUM

The compound (BH)(CrO3F), where B = Pyridine, has been synthesized and characterized. This compound was prepared by reaction between chromium (VI) trioxide, hydrogen fluoride and organic base in aqueous medium, and characterized by infrared and electronic spectroscopy. The molecular and crystal structures have been determined by X-ray crystallography: 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 calculations of geometric optimization have been carried out using the Gaussian 90 program. Experimental and theoretical results are compared.