Hu Y.-Q., Li M.-Q., Wang Y. et al. · Chemistry - A European Journal · 2017 · 8409-8413
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 reversible conductivity change enables a simple iodine-vapour sensing device with rapid LED response, reproducible current switching and a linear current response to iodine concentration.
Caveat: Device geometry is reported at a practical schematic/procedure level; dimensions of the pellet are not given.
p003-p004 / article p.8411-8412 · Main text and summary · Figure 3; Figure S9 · Linked to 5 structured results
Iodine uptake and repeated release/reloading preserve the crystallinity of the MOF framework by PXRD.
Caveat: PXRD confirms bulk crystallinity qualitatively; no raw diffraction files were supplied.
p002 / article p.8410 · Main text · Figure 1b-c · Linked to 2 structured results
Coordinated DMF compartmentalises channel A and helps make iodine diffusion/selectivity favourable relative to EtOH and MeCN; removing DMF in the model reverses the selectivity trend.
Caveat: The selectivity claim combines structural reasoning and molecular-dynamics modelling, not direct measured sorption selectivity isotherms for EtOH/MeCN.
p004 / article p.8412 · Main text · Figure S13-S15 · Linked to 5 structured results
I2@1 behaves as a semiconductor, as shown by thermally activated conductivity and a lower optical band gap than pristine compound 1.
Caveat: Band gaps are from optical fitting rather than direct electronic band structure measurement.
p003 / article p.8411 · Main text · Figure 2b-c · Linked to 3 structured results
Iodine uptake creates a linear I-...I2...I- linker across {Cu4I4}n chains and a quasi-{Cu4I5}n layer that provides the primary charge-transport pathway responsible for the large conductivity enhancement.
Caveat: Mechanistic assignment is based on single-crystal structure, conductivity changes, and comparison between channels A and B; CIFs were not part of the assigned local documents.
p004 / article p.8412 · Main text · Figure 4 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| [Tb(Cu4I4)(ina)3(DMF)]n, compound 1 | [Tb(Cu4I4)(ina)3(DMF)]n; crystallographic formula C21H19Cu4I4N4O7Tb{TbCO2}n chains and {Cu4I4}n copper iodide fragment chains · ina = isonicotinate | 3D · PristineActivated framework with two one-dimensional channels (A and B) along the crystallographic b-axis; iodide ions exposed into channels. | p002 / article p.8410 · Main text · Figure 1a; Figure S4-S5 |
| {[Tb(Cu4I4)(ina)3(DMF)].EtOH}n, EtOH@1 | {[Tb(Cu4I4)(ina)3(DMF)].EtOH}n; crystallographic formula C23H24Cu4TbI4N4O8Tb/Cu/I framework of compound 1 · ina = isonicotinate | 3D · PristineEthanol-loaded derivative of compound 1 used for guest selectivity/structure comparison. | p006 / SI p.5 · Syntheses of the compounds · Table S4; Figure S14 |
| {[Tb3(Cu4I4)3(ina)9(DMF)4].DMF}n, G@1 | {[Tb3(Cu4I4)3(ina)9(DMF)4].DMF}n; crystallographic formula C69H71Cu12I12N14O23Tb3Interconnected {TbCO2}n and {Cu4I4}n one-dimensional chains; Tb3+ nodes and Cu4I4 clusters/chains. · ina = isonicotinate, prepared from isonicotinic acid | 3D · PristineSolvated precursor MOF; 3D network assembled from {TbCO2}n and {Cu4I4}n chains linked by ina ligands. | p002 / article p.8410 · Main text · Figure S2 |
| {[Tb(Cu4I4)(ina)3(DMF)].1.5I2}n, I2@1 | {[Tb(Cu4I4)(ina)3(DMF)].1.5I2}n; EA formula C21H19Cu4I7N4O7Tb; crystallographic formula C42H38Cu8I14N8O14Tb2{Cu4I4}n chains interacting with guest I2 to give a quasi-{Cu4I5}n layer through I-...I2...I- contacts · ina = isonicotinate | 3D · PristineIodine-loaded framework retaining crystallinity; I2 occupies channels A and B, with channel A forming a linear I-...I2...I- polyiodide arrangement. | p002-p004 / article p.8410-8412 · Main text · Figure 1; Figure 4; Figure S10-S11 |
| {[Tb(Cu4I4)(ina)3(DMF)].MeCN}n, MeCN@1 | {[Tb(Cu4I4)(ina)3(DMF)].MeCN}n; crystallographic formula C23H10Cu4TbI4N5O7Tb/Cu/I framework of compound 1 · ina = isonicotinate | 3D · PristineAcetonitrile-loaded derivative of compound 1 used for guest selectivity/structure comparison. | p006 / SI p.5 · Syntheses of the compounds · Table S4; Figure S14 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Compound 1 iodine-sensing pellet deviceresearch_0097__mat__compound_1 | Pellet · Target Sample · Pristine Framework | Powder sample of 1 pressed into pellets and connected with silver-coated copper wires and conductive silver paste.device circuit with electrodes, source meter/ammeter and LED lamp | p004 / SI p.3 · Iodine sensing measurements · Figure 3; Figure S9 |
| Activated compound 1 single crystalsresearch_0097__mat__compound_1 | Single Crystal · Pristine Control · Pristine Framework | G@1 crystals evacuated at 160 C for 12 h until colour changed from green-yellow to dark-yellow.none | p005-p006 / SI p.4-5 · Syntheses of the compounds |
| EtOH@1 crystalsresearch_0097__mat__etoh_at_1 | Single Crystal · Target Sample · Guest Loaded | Compound 1 crystals soaked in dry ethanol for 7 days at room temperature; solution decanted, crystals collected.none | p006 / SI p.5 · Syntheses of the compounds · Figure S14 |
| G@1 yellow crystalsresearch_0097__mat__g_at_1_solvated_precursor | Single Crystal · Pristine Control · Pristine Framework | Solvothermal yellow crystals washed with DMF and dried in vacuum.none | p005 / SI p.4 · Syntheses of the compounds |
| I2@1 photoelectric deviceresearch_0097__mat__i2_at_1 | Electrode · Target Sample · Guest Loaded | Powder samples of I2@1 prepared similarly to iodine-sensing device and measured in dark/under xenon lamp.device circuit connected to Keithley 2400 | p004-p005 / SI p.3-4 · Photoelectric measurements · Figure 3d |
| I2@1 iodine-loaded crystalsresearch_0097__mat__i2_at_1 | Single Crystal · Target Sample · Guest Loaded | 500 mg crystals of 1 soaked in saturated I2/cyclohexane for 2 h until dark-yellow to black.none | p006 / SI p.5 · Syntheses of the compounds |
| MDS model of guest diffusion in channel A of 1research_0097__mat__compound_1 | Model · Model System · Model | Molecular-dynamics model generated from GCMC loading results with universal-forcefield optimisation; actual channel and virtual no-DMF channel compared.not_applicable · not_applicable | p005 / SI p.4 · Simulation of the diffusion behaviors · Figure S15 |
| MeCN@1 crystalsresearch_0097__mat__mecn_at_1 | Single Crystal · Target Sample · Guest Loaded | Compound 1 crystals soaked in dry acetonitrile for 7 days at room temperature; solution decanted, crystals collected.none | p006 / SI p.5 · Syntheses of the compounds · Figure S14 |