Data of the article "Examining the adsorption of gases into solid crystalline molecular copper(II) 3,5-bis(trifluoromethyl)benzoate derivatives"

DOI

The data set contains the experimental results of the figures shown in the article, including the figures in the supplementary materials. They were used to characterize the texture of the samples (adsoption/desoption of gases), it crystalline nature and modification due to temperature and/or gas pressure variations, and their thermal estability.

METHODOLOGICAL INFORMATION

  1. Description of methods used for collection-generation of data: SPXRD (Synchrotron powder X-ray diffraction): recorded at the BL16- NOTOS beamline of the ALBA synchrotron. The powdered sample was placed inside of an ad hoc capillary reaction cell made of a fused silica capillary with 0.7 and 0.85. Data were collected at 20 keV (0.62074 Å wavelength) in the transmission mode using the Mythen-II detector (6 modules at 535 mm from the sample) mm inner and outer diameters, respectively. The capillary was connected to both a gas-handling and a vacuum line. An Oxford Cryostream 700 instrument was used to control the temperature of the sample. DSC (Differential scanning calorimetry): performed under N2 atmosphere in a dynamic Mettler Toledo DSC 821e equipment. A thermal heat program was settled consisting in cooling the sample from 25 to - 140 ◦C at a cooling rate of 5 ◦C min􀀀 1. After 1 min at this temperature, the reverse heating at the same rate was performed. Adsorption-desoprtion isotherms: determined at either 77 or 273 K with N2, Ar and CO2 probe gasses using an ASAP 2000 Micromeritics Inc apparatus. Samples were first degassed at 373 K during 20 h. PXRD (Powder X-ray diffraction patterns ): recorded at room temperature in a Siemens D5000 diffractometer, using the Cu Kα incident radiation.

  2. Methods for processing the data: Qst was dermined by procesing adsorption data of CO2 at different temperatures, using Excel

  3. Instrument- or software- specific information needed to interpret the data: MS Excel

Identifier
DOI https://doi.org/10.34810/data957
Related Identifier IsCitedBy https://doi.org/10.1016/j.micromeso.2023.112688
Metadata Access https://dataverse.csuc.cat/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.34810/data957
Provenance
Creator Vallcorba Valls, Oriol ORCID logo; Fraile-Sainz, Julio C. ORCID logo; Domingo, Concepcion ORCID logo; Ayllon, Jose Antonio ORCID logo
Publisher CORA.Repositori de Dades de Recerca
Contributor Ayllon, Jose Antonio; Universitat Autònoma Barcelona
Publication Year 2023
Funding Reference Ministerio de Ciencia e Innovación CEX2019-000917-S ; Agencia Estatal de Investigación PID2020-115631GB-I00
Rights CC0 1.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/publicdomain/zero/1.0
OpenAccess true
Contact Ayllon, Jose Antonio (Universitat Autònoma de Barcelona. Departament de Química)
Representation
Resource Type Experimental data; Dataset
Format text/tab-separated-values; image/tiff; text/plain
Size 355037; 499488; 24959; 4910; 2768; 35223; 230506; 231040; 4825; 795214; 639668; 699569; 7208
Version 1.0
Discipline Chemistry; Natural Sciences