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Gas Adsorption Properties and Selectivity in Cu II /Adeninato/Carboxylato Metal–Biomolecule Frameworks (Eur. J. Inorg. Chem. 36/2012)
Author(s) -
PérezYáñez Sonia,
Beobide Garikoitz,
Castillo Oscar,
Fischer Michael,
Hoffmann Frank,
Fröba Michael,
Cepeda Javier,
Luque Antonio
Publication year - 2012
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201290115
Subject(s) - chemistry , adsorption , selectivity , sorption , cover (algebra) , biomolecule , metal , ligand (biochemistry) , interaction energy , thermodynamics , molecule , computational chemistry , chemical physics , inorganic chemistry , organic chemistry , catalysis , physics , mechanical engineering , biochemistry , receptor , engineering
The cover picture shows the potential energy map for CO 2 adsorption in a Cu II /adeninato/carboxylato metal–biomolecule framework (MBioF) computed by GCMC calculations. The gas adsorption behavior of a family of MBioFs is exhaustively studied on the basis of experimental and simulation data. Moreover, the selectivity towards CO 2 /H 2 and CO/H 2 gas mixtures is studied by computing the Henry constants and the binary adsorption isotherms. The results are interpreted by means of potential energy maps, which show how the gas sorption and selectivity features are straightforwardly controlled by modifying the chain length of the carboxylato ligand also shown in the cover picture. Details are discussed in the article by G. Beobide et al. on p. 5921 ff.