Crystal structure of [Co(NH3)5NO3](NO3)(PF6).1.5 H2O and the vibrational bands of its normal and 15NO3-enriched cation

M. E. CHACÓN VILLALBA,; A. NAVAZA; N. DUPONT; J. MARROT; E. L. VARETTI; P. J. AYMONINO

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY

Año: 2007 vol. 37 p. 573 - 577

1074-1542

     The crystal structure of [Co(NH3)5NO3](NO3)(PF6).1.5 H2O  was studied by X-ray diffraction methods in order to obtain the unknown molecular structure of the [Co(NH3)5NO3]2+cation . The substance crystallizes in the monoclinic system, space group C2/m, with a = 18.6231(6) Å, b = 7.8757(3) Å, c = 9.6434(3) Å and b = 95.484(2)°.  An  infrared and Raman study of the bromide salt was also performed and the spectra interpreted with the aid of 14NO3/15NO3 isotopic replacement and quantum chemistry calculations.