41 research outputs found

    Quantum Chemical and FTIR Spectroscopic Studies on the Linkage Isomerism of Carbon Monoxide in Alkali-Metal-Exchanged Zeolites: A Review of Current Research

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    When adsorbed (at a low temperature) on alkali-metal-exchanged zeolites, CO forms both M(CO)+ and M(OC)+ carbonyl species with the extra-framework alkali-metal cation of the zeolite. Both quantum chemical and experimental results show that C-bondend adducts are characterized by a Cāˆ’O stretching IR band at a frequency higher than that of 2143 cm-1 for free CO, while for O-bonded adducts this IR band appears below 2143 cm-1. The cation-CO interaction energy is higher for M(CO)+ than for M(OC)+ carbonyls, although the corresponding difference decreases substantially when going from Li+ to Cs+. By means of variable-temperature FTIR spectroscopy, this energy difference was determined for several alkali-metal cations, and the existence of a thermal equilibrium between M(CO)+ and M(OC)+ species was established. The current state of research in this field is reviewed here, with a view to gain more insight into the thermal isomerization process

    Surface Characterization of Ī³-Ga 2

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    Linkage Isomerism of Carbon Monoxide in Alkali-Metal- Exchanged Zeolites: A Review of Current Research

    No full text
    Abstract: When adsorbed (at a low temperature) on alkali-metal-exchanged zeolites, CO forms both M(CO) + and M(OC) + carbonyl species with the extra-framework alkali-metal cation of the zeolite. Both quantum chemical and experimental results show that C-bonded adducts are characterized by a Cāˆ’O stretching IR band at a frequency higher than that of 2143 cm-1 for free CO, while for O-bonded adducts this IR band appears below 2143 cm-1. The cation-CO interaction energy is higher for M(CO) + than for M(OC) + carbonyls, although the corresponding difference decreases substantially when going from Li + to Cs +. By means of variable-temperature FTIR spectroscopy, this energy difference was determined for several alkali-metal cations, and the existence of a thermal equilibrium between M(CO) + and M(OC) + species was established. The current state of research in this field is reviewed here, with a view to gain more insight into the thermal isomerization process
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