C. Lepetit et M. Che, DISCUSSION ON THE COORDINATION OF NI2-TYPE ZEOLITES FOLLOWED BY DIFFUSE-REFLECTANCE SPECTROSCOPY( IONS TO LATTICE OXYGENS IN CALCINED FAUJASITE), Journal of physical chemistry, 100(8), 1996, pp. 3137-3143
The coordination of Ni2+ ions to lattice oxygens in calcined X and Y z
eolites has been extensively studied. A survey of the literature is pr
esented here. From X-ray diffraction, Ni2+ ions are known to occupy pr
eferentially the hexagonal prisms (SI) in octahedral symmetry. The mai
n d-d absorption bands of Ni2+ ions in calcined NiX and NiY were assig
ned on this basis. The corresponding low value of the crystal field (1
0Dq approximate to 6400 cm(-1)) was accounted for by unusual long Ni-O
bond lengths at S-I sites. We demonstrate here that this assignment i
s not consistent with recently reported extended X-ray absorption fine
structure measurements End that the absorption bands should be reassi
gned to Ni2+ cations in distorted tetrahedral and trigonal (D-3h) coor
dinations. These cations are located in the supercages and/or sodalite
cavities.