Lin J.-X., Liang J., Feng J.-F. et al. · Inorganic Chemistry Frontiers · 2016 · 1393-1397
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.
Although the material is described as porous and channel-containing, the supplied article/SI do not report BET surface area, pore volume, gas sorption isotherms, or electrochemical measurements.
Caveat: Porosity is structural/qualitative in this extraction rather than quantified by adsorption porosimetry.
main p.3-4; article pp.1394-1395 · Structural description · Fig. 1
The authors argue that charge transport in I2@1 disfavors an ideal electron-hopping mechanism, possibly because of insufficient crystallinity and multiple polyiodide units.
Caveat: Mechanistic statement is interpretive and not supported by temperature-dependent transport or impedance analysis.
main p.5; article p.1396 · Electrical conductivity · Linked to 2 structured results
Bulk complex 1 is phase-pure by PXRD because the experimental major diffraction peaks below 20 degrees match the pattern simulated from single-crystal data.
Caveat: High-angle peak shifts are noted and attributed to room-temperature PXRD versus lower-temperature crystal-structure data.
main p.4; article p.1395 · X-ray powder diffraction and thermal analysis · Fig. S3 · Linked to 1 structured result
Raman spectroscopy supports that most absorbed iodine is present as iodide-perturbed I2 in [I-...I2...I-]n polyiodide units, with a smaller contribution from triiodide I3- species.
Caveat: Assignment is spectroscopic; multiple possible polyiodide units are discussed.
main p.5; article p.1396 · Raman spectroscopy · Fig. 3 · Linked to 3 structured results
Discrete iodide ions in the crystal channels act as preferred binding sites for iodine, allowing formation of polyiodide-containing I2@1 despite short initial iodide-iodide separations.
Caveat: The paper infers dynamic movement of iodides and channel expansion; no post-uptake single-crystal structure is reported.
main p.4; article p.1395 · Structural description; Iodine molecule uptake · Fig. 1; Fig. 2; Fig. 3 · Linked to 5 structured results
Iodine uptake enhances electrical conductivity in complex 1 by introducing polyiodide species that favour charge transport relative to the pristine host concept.
Caveat: The paper does not report a pristine complex 1 conductivity value, so enhancement is asserted for iodine uptake but not quantified against a measured pristine-host control.
main p.5-6; article pp.1396-1397 · Electrical conductivity; Conclusions · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| [(Na2I2CB[6]).8H2O]n (complex 1) | [(Na2I2CB[6]).8H2O]n; CIF sum C36 H36 I2 N24 Na2 O20Na+ cations bound to cucurbit[6]uril carbonyl groups and aqua ligands; pairs of sodium ions form dimer units sharing aqua ligands. · Cucurbit[6]uril (CB[6]) macrocycles. | 1D · PristineOrthorhombic Pnnm; 1D sodium-CB[6] coordination chains packed in channels containing a discrete iodide-ion matrix. | main p.2-3; article pp.1393-1394 · Abstract; Results and discussion · Fig. 1 |
| I2@1 polyiodide-containing iodine-loaded complex 1 | I2@[(Na2I2CB[6]).8H2O]n; ca. 1.4 I2 molecules per formula unit reported after uptakeNa-CB[6] coordination framework retained as the host component; crystalline order is lost after iodine adsorption by PXRD. · Cucurbit[6]uril (CB[6]) host framework with iodine/polyiodide guest species. | unknown · PristineGuest-loaded solid assigned as polyiodide-containing material with halogen-bonded [I-...I2...I-]n units and minor triiodide I3- species by Raman spectroscopy. | main p.4-5; article pp.1395-1396 · Iodine molecule uptake; Raman spectroscopy · Fig. 2; Fig. 3 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Bulk colourless rod-shaped crystals of complex 1research_0592__mat__complex_1_na_i_cb6_pcp | Powder · Pristine Control · Pristine Framework | Filtered, washed with water, and dried in air after hydrothermal synthesis; used as iodine absorbent and for bulk PXRD/TGA. | main p.3; article p.1395 · Synthesis of [(Na2I2CB[6]).8H2O]n (1) |
| Single crystal of complex 1 for X-ray diffractionresearch_0592__mat__complex_1_na_i_cb6_pcp | Single Crystal · Pristine Control · Pristine Framework | Selected under a polarised light optical microscope for single-crystal X-ray diffraction.0.18 x 0.08 x 0.08 mm from CIF | CIF · exptl_crystal |
| I2@1 iodine-loaded bulk solidresearch_0592__mat__i2_at_complex_1_polyiodide | Powder · Target Sample · Guest Loaded | Complex 1 exposed to spontaneous iodine vapour in a sealed vial until the solid became black after 90 min. | main p.4; article p.1395 · Iodine molecule uptake · Fig. 2 |
| Compressed pellet of I2@1research_0592__mat__i2_at_complex_1_polyiodide | Pellet · Target Sample · Guest Loaded | Powdered I2@1 compressed to a pellet under 10 MPa; contacted with gold wires using gold paste.0.6 mm thickness; 2.5 mm diameter | main p.5; article p.1396 · Electrical conductivity |