Desveaux B.E., Wong Y.T.A., Lucier B.E.G. et al. · Journal of Physical Chemistry C · 2019 · 17798-17807
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
The paper does not report electrical conductivity, charge transport, thermoelectric, electrochemical, or device-performance measurements for SIFSIX-3-Zn.
Caveat: The article is assigned to a conductive-MOF evidence database, but its first-hand data are structural and spectroscopic.
PDF p1 / article p17798 · Abstract
SCXRD identified four crystallographically equivalent CO2 adsorption sites in the CO2-loaded SIFSIX-3-Zn channels, with two equivalent sites separated by 1.10 A within each pore and approximately 0.47 occupancy at each position.
Caveat: Close site proximity prevents simultaneous occupation; CO2 anisotropic displacement parameters are larger than framework atoms, indicating mobility even at 110 K.
PDF p4 / article p17801 · SCXRD of CO2-Loaded SIFSIX-3-Zn · Figure 3a · Linked to 3 structured results
Activated and CO2-loaded SIFSIX-3-Zn have similar local framework structures according to 67Zn, 19F, and 29Si SSNMR.
Caveat: The crystal structure of the activated phase was not reported.
SI p16 / S16 · 19F and 29Si SSNMR Results and Discussion · Figure S5; Table S9 · Linked to 6 structured results
Framework SiF6 fluorines and pyrazine hydrogens synergistically interact with adsorbed CO2 and are proposed to drive strong CO2 adsorption in SIFSIX-3-Zn.
Caveat: This paper characterises host-guest contacts and NMR interactions, but does not report a new first-hand adsorption isotherm or heat of adsorption measurement.
PDF p6-p8 / article p17803-p17805 · SSNMR; Conclusions · Figures 5-6 · Linked to 3 structured results
Guest accommodation changes the apparent crystal symmetry: CO2-loaded SIFSIX-3-Zn refines in I4/mcm with a larger unit cell, whereas reported as-made structures are P4/mmm.
Caveat: checkCIF flags pseudo/new space group P4/mmm alerts for the CO2-loaded CIF, so the symmetry change should be interpreted with that crystallographic caveat.
PDF p4 / article p17801 · SCXRD of CO2-Loaded SIFSIX-3-Zn · Figure 1; Table S1 · Linked to 3 structured results
Adsorbed CO2 mobility in SIFSIX-3-Zn is highly restricted even at room temperature; the dominant motion is local C3 wobbling rather than nonlocal hopping.
Caveat: The authors note that translational motion could be present simultaneously, but consider it unlikely because of small pores and strong framework interactions.
PDF p7-p8 / article p17804-p17805 · CO2 Dynamics in SIFSIX-3-Zn; Conclusions · Figures 7-9; Table 3 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| SIFSIX-3-Zn | Zn(pyz)2(SiF6); CO2-loaded CIF formula C17.86 H16 F12 N8 O3.73 Si2 Zn2Octahedrally coordinated Zn centers bound to four pyrazine nitrogens and two fluorides from SiF6 pillars · Pyrazine (pyr, pyz) linkers; hexafluorosilicate pillars | 3D · PristineThree-dimensional ultramicroporous framework of Zn-pyrazine sheets pillared by SiF6(2-) ions; channels run along the crystallographic c-axis. | PDF p1 / article p17798 · Abstract; Introduction · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 13CO2-loaded SIFSIX-3-Znresearch_0706__mat__sifsix_3_zn | Powder · Target Sample · Guest Loaded | Activated SIFSIX-3-Zn loaded with isotopically labelled 13CO2; 0.25 molar ratio of CO2 to Zn2+ for gas-loading procedure. | PDF p3 / article p17800 · Methods - Sample Activation and Gas Loading |
| Activated SIFSIX-3-Znresearch_0706__mat__sifsix_3_zn | Powder · Pristine Control · Pristine Framework | Activated under dynamic vacuum below 1 mbar at 80 +/- 10 C for 24 h. | PDF p3 / article p17800 · Methods - Sample Activation and Gas Loading |
| As-made SIFSIX-3-Znresearch_0706__mat__sifsix_3_zn | Powder · Pristine Control · Pristine Framework | Solvothermally prepared crystals, dried at 90 C in air for 3 h; solvent-exchanged in MeOH before activation/loading where relevant. | PDF p3 / article p17800 · Methods - Sample Preparation · Figure S2 |
| CO2-saturated SIFSIX-3-Zn single crystalsresearch_0706__mat__sifsix_3_zn | Single Crystal · Target Sample · Guest Loaded | Single crystals activated and loaded to saturation with CO2, then coated with Paratone oil immediately after the sealed tube was broken. | PDF p3 / article p17800 · Methods - SCXRD Experiments · Figure 1c,d; Tables S1-S7 |