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Int. J. Mol. Sci. 2002, 3(7), 764-776; doi:10.3390/i3070764

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

1
Departamento de Química, Universidad de las Islas Baleares, 07071 Palma de Mallorca, Spain
2
Institute of Physics, St. Petersburg University, 198504 St. Petersburg, Russia
3
Dipartimento di Scienza dei Materiali ed Ingegneria Chimica, Politecnico di Torino, 10129 Turin, Italy
*
Author to whom correspondence should be addressed.
Received: 21 May 2002 / Accepted: 13 June 2002 / Published: 30 July 2002
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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-bondend adducts are characterized by a C−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.
Keywords: Alkali metal carbonyls; CO adsorption; FTIR spectroscopy; Linkage isomerism; Zeolites Alkali metal carbonyls; CO adsorption; FTIR spectroscopy; Linkage isomerism; Zeolites
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Areán, C.O.; Palomino, G.T.; Tsyganenko, A.A.; Garrone, E. Quantum Chemical and FTIR Spectroscopic Studies on the Linkage Isomerism of Carbon Monoxide in Alkali-Metal-Exchanged Zeolites: A Review of Current Research. Int. J. Mol. Sci. 2002, 3, 764-776.

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