Examining the adsorption of gases into solid crystalline molecular copper(II) 3,5-bis(trifluoromethyl)benzoate derivatives
Vallcorba Valls, Oriol (ALBA Laboratori de Llum de Sincrotró)
Fraile-Sainz, Julio (Instituto de Ciencia de Materiales de Barcelona)
Domingo, Concepción (Instituto de Ciencia de Materiales de Barcelona)
Ayllon, Jose Antonio (Universitat Autònoma de Barcelona. Departament de Química)

Data:	2023
Resum:	Two copper(II) complexes, both involving the anionic 3,5-bis(trifluoromethyl)benzoate ligand (TFMBz), have been prepared and their structure elucidated by single crystal-X ray diffraction. [Cu(TFMBz)2(ISNA)2] (1) is a mononuclear complex, in which the sphere of coordination of Cu(II) is completed by two neutral isonicotinamide (ISNA) auxiliary ligands. Hydrogen bonding formed between auxiliary ISNA ligands determines the formation of a 2D supramolecular network. [Cu2(TFMBz)4(DMSO)2] (2) is a binuclear complex, in which the four carboxylate ligands define the typical paddle wheel structure often found in copper complexes, containing also the ancillary dimethyl sulfoxide (DMSO) ligand in axial positions. The elucidated crystallographic data provide the static view of the crystal structures, which reveals only non-interconnected voids for both materials. Even that, compound 1shows an appreciable adsorption of CO2 at 273 K (ca. 1 CO2 molecule/Cu atom at 100 kPa), concomitant with a reduced adsorption of Ar or N2 under similar conditions, which implies a considerable degree of selectivity for CO2. Moreover, 1 does not adsorb N2 or Ar at 77 K and 100 kPa. This behavior suggests that the stablished intermolecular hydrogen bonds rest flexibility and dynamism to 1 at low temperature. Contrarily, increasing the temperature transient porosity is originated, which allows guest molecules to diffuse through the cavities. Compound 2 shows adsorption of N2 and Ar at 77 K, indicating that vibrations in the network and rotation of some CF3 groups, necessary to favor adsorbate diffusion, are still feasible at this low temperature.
Ajuts:	Agencia Estatal de Investigación PID2020-115631GB-I00 Ministerio de Ciencia e Innovación CEX2019-000917-S
Nota:	Altres ajuts: acords transformatius de la UAB
Drets:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, i la comunicació pública de l'obra, sempre que no sigui amb finalitats comercials, i sempre que es reconegui l'autoria de l'obra original. No es permet la creació d'obres derivades.
Llengua:	Anglès
Document:	Article ; recerca ; Versió publicada
Matèria:	Dynamic porosity ; Porous molecular crystals ; Adsorption ; Selectivity
Publicat a:	Microporous and Mesoporous Materials, Vol. 360 (October 2023) , art. 112688, ISSN 1387-1811

DOI: 10.1016/j.micromeso.2023.112688

8 p, 5.1 MB

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