0181331 - UFCH-W 20010257 RIV US eng J - Journal Article
Šponer, Judit E. - Sobalík, Zdeněk - Leszczynski, J. - Wichterlová, Blanka
Effect of Metal Coordination on the Charge Distribution over the Cation Binding Sites of Zeolites. A Combined Experimental and Theoretical Study.
Journal of Physical Chemistry. B. Roč. 105, - (2001), s. 8285-8290. ISSN 1089-5647
R&D Projects: GA ČR GA203/98/P118; GA ČR GA104/00/0640
Institutional research plan: CEZ:AV0Z4040901
Keywords : zeolite * ferrierite * cations oin zeolite Ag, Cu, Co
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.379, year: 2001

Simplified cluster models representing catio binding sites in a zeolite ferrierite structure have been optimized with a series of divalent Mg(2), Mn(2), Co(2), Ni(2) and monovalent Na(1), Cu(1), Ag(1) metal cations. A sound correlatin has been found between the extent of perturbation and the measured infrared vibrational wavenumbers of the shifted T-O-T antisymmetric skeletal vibrations, appearing in the 1020-780 cm-1 region of the FTIR spectra of ferrierite exchanged with metal cations.
Permanent Link: http://hdl.handle.net/11104/0077913