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Jeffrey T. Culp, De-Li Chen, Jinchen Liu, Danielle Chirdon, Kristi Kauffman, Angela Goodman and J. Karl Johnson Effect of Spin-Crossover-Induced Pore Contraction on CO2–Host Interactions in the Porous Coordination Polymers [Fe(pyrazine)M(CN)4] (M = Ni, Pt) European Journal of Inorganic Chemistry 2013

Version of Record online: 5 DEC 2012 | DOI: 10.1002/ejic.201201265

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Modeling results confirm that the pore widths of the pillared Hofmann compounds [Fe(pyrazine)M(CN)4] are a good fit for adsorbed CO2, which spans the perpendicular distance between pyrazine pillar ligands through a four-fold hydrogen-bonding arrangement. Analysis shows how pore contraction resulting from a shortening of the Fe–N bonds during spin crossover enhances these H···O interactions.

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