Primary studyCore evidenceTransport Physics

Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: Great enhancement of stability and gas adsorption

Shen P., He W.-W., Du D.-Y. et al. · Chemical Science · 2014 · 1368-1374

3materials
8samples
6synthesis routes
13measurements
45results
6claims and caveats

Evidence map

Open a family to keep every result attached to its sample, method and conditions.

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

Application RelevanceSupport assessment: High

IFMC-69 selectively adsorbs CO2 over N2 and may be useful for CO2/N2 mixture separation.

Caveat: Selectivity is adsorption-based; no dynamic breakthrough separation experiment is reported.

p005 / 1372 · Results and discussion · Fig. 5b, Table S2 · Linked to 6 structured results

Application RelevanceSupport assessment: High

IFMC-69 can reversibly adsorb and release iodine, with accompanying photoluminescence quenching and recovery.

Caveat: Reversibility is demonstrated by colour and luminescence changes; cycle life is not quantified.

p006 / 1373 · Results and discussion · Fig. S23, Fig. S26 · Linked to 4 structured results

Structure Property LinkSupport assessment: High

Transformation from IFMC-68 to IFMC-69 converts an air-unstable framework to an air-stable one.

Caveat: Stability assessment is PXRD/photo based under ambient air exposure, not a full environmental stability matrix.

p005 / 1372 · Results and discussion · Fig. S16, Fig. S17 · Linked to 2 structured results

Synthesis MechanismSupport assessment: Medium

DFT calculations support IFMC-69 formation as thermodynamically favourable through formation of the water-bridged [Zn4O(CO2)6]2H2O SBU.

Caveat: Model calculations use simplified SBUs with benzene substituents replaced by H atoms; they support but do not prove the full solid-state pathway.

p005 / 1372 · Results and discussion · Fig. S15 · Linked to 2 structured results

Synthesis MechanismSupport assessment: High

The IFMC-68 to IFMC-69 SCSC transformation is triggered by reaction temperature and time, in solvent or solvent-free sealed conditions.

Caveat: Intermediate phase is described by PXRD and selected single-crystal evidence but not assigned as a separate solved structure.

p004 / 1371 · Results and discussion · Table S1, Fig. S12-S14 · Linked to 3 structured results

Transport MechanismSupport assessment: Medium

Iodine adsorption in IFMC-69 increases conductivity by enabling charge-transfer interactions between I2 and pi-electron walls within narrow channels.

Caveat: Mechanistic explanation is author interpretation; transport evidence is limited to pressed-film resistance/conductivity and an unfitted Nyquist plot.

p006 / 1373 · Results and discussion · Linked to 4 structured results

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

MaterialCompositionStructure contextSource
I2@IFMC-69I2 guest-loaded IFMC-69; TGA-derived iodine content 29.48 wt%IFMC-69 host framework with [Zn4O(CO2)6]2H2O SBUs · L4- linker framework hosting iodine guests in channels3D · CompositeGuest-loaded porous IFMC-69 host; iodine inclusion in channels inferred from colour change, TGA, photoluminescence quenching/recovery, and conductivity.p005 / 1372 · Results and discussion · Fig. S29
IFMC-68[(Zn4O)2(L)3].10H2O.46DMA; reported elemental formula C283H506O94N46Zn8classic Zn4O(CO2)6 secondary building units · L4- from methanetetra(tetrakis[4-(carboxyphenyl)oxamethyl]methane acid), H4L3D · PristineCentrosymmetric trigonal R-3c MOF; 3D (4,6)-connected, non-interpenetrated corundum-like framework with microporous and mesoporous cages.p002 / 1369 · Results and discussion · Fig. 1
IFMC-69[(Zn4O)2(L)3H2O].H2O.4DMA; reported elemental formula C115H112O44N4Zn8water-bridged [Zn4O(CO2)6]2H2O secondary building units · L4- from methanetetra(tetrakis[4-(carboxyphenyl)oxamethyl]methane acid), H4L3D · PristineChiral cubic P23 MOF; self-penetrated 3D framework described as (4,7)-connected and alternatively (4,12)-connected depending on node assignment.p002 / 1369 · Results and discussion · Fig. 1

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 8 sample records
SampleForm and roleProcessing and geometrySource
I2-loaded IFMC-69 crystals for sorption/releaseresearch_0170__mat__mat_i2_ifmc69Single Crystal · Target Sample · Guest LoadedIFMC-69 crystals immersed in iodine/hexane solution and then exposed to dry ethanol for release experiments.p005-p006 / 1372-1373 · Results and discussion · Fig. S23, Fig. S26
activated I2@IFMC-69 pressed powder filmresearch_0170__mat__mat_i2_ifmc69Pellet · Target Sample · Guest LoadedActivated IFMC-69 immersed in 0.05 mol/L I2 in hexane for 24 h, evacuated at 45 C for 2 h, ground and pressed into a 1 mm film.1 mm thickness filmp002-p003 · S3. Electrical conductivity values
activated IFMC-68research_0170__mat__mat_ifmc68Powder · Pristine Control · Pristine FrameworkSolvent-exchanged and vacuum/outgas activated before gas adsorption; framework partly collapses after activation.p005 / 1372 · Results and discussion · Fig. S18
as-synthesised IFMC-68 colourless crystalsresearch_0170__mat__mat_ifmc68Single Crystal · Pristine Control · Pristine FrameworkSolvothermally grown, Et2O washed, dried at room temperature.p006 / 1373 · Experimental
IFMC-68/IFMC-69 intermediate transformation mixtureresearch_0170__mat__mat_ifmc69Single Crystal · Unknown · UnknownIntermediate product observed during thermal transformation and direct synthesis at selected time/temperature conditions.p003 / 1370 · Results and discussion · Fig. 2
as-synthesised IFMC-69 colourless crystalsresearch_0170__mat__mat_ifmc69Single Crystal · Target Sample · Pristine FrameworkDirect solvothermal product, Et2O washed, dried at room temperature.p006 / 1373 · Experimental
activated IFMC-69 for gas sorptionresearch_0170__mat__mat_ifmc69Powder · Target Sample · Pristine FrameworkMethanol and dichloromethane solvent exchange followed by dynamic vacuum at room temperature overnight and 12 h outgas.p002 · S1. Materials and instrumentations for measurements
activated IFMC-69 pressed powder filmresearch_0170__mat__mat_ifmc69Pellet · Pristine Control · Pristine FrameworkWashed with anhydrous methanol and dichloromethane, evacuated at 45 C for 2 h, ground and pressed into a 1 mm film.1 mm thickness filmp002-p003 · S3. Electrical conductivity values