By the comparison of experimental results and computational data concerning the interaction of CO with one or two naked cations, evidence is provided that weak bands occurring in the IR spectra of basic zeolites, after the low-temperature adsorption of CO, at frequencies lower than that of the gaseous molecule, are due to species O-bonded to a single cation in thermodynamic equilibrium with the usual, more stable species C-bonded to the same cation. The absence of O-bonding for CO in other systems is discussed, and evidence is provided for the probable occurrence in protonic zeolites.
Quantum chemical calculations and experimental evidence for O-bonding of carbon monoxide to alkali metal cations in zeolites
UGLIENGO, Piero;ZECCHINA, Adriano;
1999-01-01
Abstract
By the comparison of experimental results and computational data concerning the interaction of CO with one or two naked cations, evidence is provided that weak bands occurring in the IR spectra of basic zeolites, after the low-temperature adsorption of CO, at frequencies lower than that of the gaseous molecule, are due to species O-bonded to a single cation in thermodynamic equilibrium with the usual, more stable species C-bonded to the same cation. The absence of O-bonding for CO in other systems is discussed, and evidence is provided for the probable occurrence in protonic zeolites.
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