Primary studyCore evidenceTransport Physics

Electrical Conductivity in a Porous, Cubic Rare-Earth Catecholate

Skorupskii G., Dinca M. · Journal of the American Chemical Society · 2020 · 6920-6924

3materials
10samples
3synthesis routes
18measurements
32results
5claims and caveats

Evidence map

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Author interpretations and caveats

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

CaveatSupport assessment: High

Conductivity measurements were performed on activated materials that retain crystallinity after measurement, but air exposure accelerates darkening and can cause amorphisation.

Caveat: Air stability differs from dry N2 measurement conditions; long-term conductivity in ambient air was not reported.

SI pp.S13-S17 · Electrical conductivity measurements · Fig. S8-S10 · Linked to 3 structured results

CaveatSupport assessment: High

La6HOTP2 is structurally characterised but should not be treated as a purified conductive bulk sample because isolation of the desired phase was unsuccessful.

Caveat: No La6HOTP2 conductivity, porosity or bulk phase-purity results are reported.

SI p.S4 · Typical synthesis of M6HOTP2 · Linked to 2 structured results

Phase AssignmentSupport assessment: High

The structures contain a previously unobserved hexanuclear mu6-nitrato catecholate SBU in MOFs.

Caveat: Structural assignment relies on single-crystal X-ray diffraction with crystallographic disorder in rare-earth coordination environments.

main p.6921 · Main text · Fig. 2 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

The rare-earth HHTP-derived M6HOTP2 family provides cubic, porous and intrinsically conductive 3D MOFs, expanding conductive MOFs beyond low-dimensional charge-transport pathways.

Caveat: Transport values were measured on pressed activated powders in a two-probe geometry, not on oriented single crystals.

main p.6922 · Conclusion · Linked to 4 structured results

Transport MechanismSupport assessment: Medium

Partial oxidation of catechol HOTP units to semiquinone-like species is proposed to form free charge carriers and improve electrical conductivity.

Caveat: Spectroscopy supports partial oxidation and possible free carriers, but carrier concentration and transport mechanism are not directly quantified.

main p.6922 · Main text · Fig. 3 · Linked to 2 structured results

Material identities

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

MaterialCompositionStructure contextSource
Eu6HOTP2 europium rare-earth catecholate MOF[Eu6(mu6-NO3)(HOTP)2](OH)1.1(OAc)3.9 . 7.8 MeOH . 0.3 DMIHexanuclear europium mu6-nitrato catecholate secondary building units · HOTP6- from hexahydroxytriphenylene (HHTP)3D · PristineCubic Fd-3m framework with similar eight-coordinate metal environments to Y6HOTP2; spn topology.main pp.6920-6921 · Main text · Fig. 1; Fig. 2; Fig. S5
La6HOTP2 lanthanum rare-earth catecholate MOFC36H12La6N3.9O41.64 from single-crystal refinementDistorted hexanuclear lanthanum mu6-nitrato catecholate secondary building units · HOTP6- from hexahydroxytriphenylene (HHTP)3D · PristineCubic Fd-3m single-crystal structure; larger La3+ distorts the SBU with two disordered equally populated La positions.SI p.S12 · Single crystal X-ray diffraction · Table S3; Fig. S6
Y6HOTP2 yttrium rare-earth catecholate MOF[Y6(mu6-NO3)(HOTP)2](OH)4.8(NO3)0.2 . 3.5 MeOH . 0.1 DMIHexanuclear yttrium mu6-nitrato catecholate secondary building units · HOTP6- from hexahydroxytriphenylene (HHTP)3D · PristineCubic Fd-3m framework with 6-connected SBU nodes and 3-connected linker nodes, spn topology, faujasite-like diamondoid cages.main p.6920 · Abstract and main text · Fig. 1; Fig. 2

Sample register

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

Show 10 sample records
SampleForm and roleProcessing and geometrySource
Activated Eu6HOTP2 pressed pellets, batch 1research_0007__mat__eu6hotp2Pellet · Target Sample · Pristine FrameworkActivated material pressed between stainless-steel rods in a glass tube for two-contact probe conductivity.Pellet thickness determined after measurement from average of 5 micrometer measurements; numeric thickness not reported.SI pp.S13-S14 · Electrical conductivity measurements · Table S4; Fig. S7d
As-synthesised Eu6HOTP2 powder/crystalsresearch_0007__mat__eu6hotp2Powder · Target Sample · Pristine FrameworkWashed as M6HOTP2, with additional hot 1% acetic acid soaking to remove needle-shaped impurity crystals.SI pp.S3-S4 · Typical synthesis; elemental analysis
La6HOTP2 single crystal structural sampleresearch_0007__mat__la6hotp2Single Crystal · Target Sample · Pristine FrameworkSingle crystals from the general M6HOTP2 synthesis; bulk desired phase not isolated cleanly.0.200 x 0.200 x 0.200 mm3 crystal sizeSI pp.S3,S12 · Typical synthesis; Table S3 · Table S3
Activated Y6HOTP2 nitrogen-sorption powderresearch_0007__mat__y6hotp2Powder · Target Sample · Pristine FrameworkHeated to 90 C under dynamic vacuum until outgas rate was below 2 mTorr/min before N2 adsorption at 77 K.SI pp.S6-S7 · Nitrogen adsorption measurements · Fig. S3
Activated Y6HOTP2 pressed pellets, batch 1research_0007__mat__y6hotp2Pellet · Target Sample · Pristine FrameworkActivated material pressed between stainless-steel rods in a glass tube for two-contact probe conductivity.Pellet thickness determined after measurement from average of 5 micrometer measurements; numeric thickness not reported.SI pp.S13-S14 · Electrical conductivity measurements · Table S4; Fig. S7a
Activated Y6HOTP2 pressed pellets, batch 2research_0007__mat__y6hotp2Pellet · Target Sample · Pristine FrameworkActivated material pressed between stainless-steel rods in a glass tube for two-contact probe conductivity.Pellet thickness determined after measurement from average of 5 micrometer measurements; numeric thickness not reported.SI pp.S13-S14 · Electrical conductivity measurements · Table S4; Fig. S7b
Activated Y6HOTP2 pressed pellets, batch 3research_0007__mat__y6hotp2Pellet · Target Sample · Pristine FrameworkActivated material pressed between stainless-steel rods in a glass tube for two-contact probe conductivity.Pellet thickness determined after measurement from average of 5 micrometer measurements; numeric thickness not reported.SI pp.S13-S14 · Electrical conductivity measurements · Table S4; Fig. S7c
Y6HOTP2 powder exposed to airresearch_0007__mat__y6hotp2Powder · Target Sample · Pristine FrameworkAs-made powder kept under air for two weeks or one month for PXRD amorphisation tracking.SI p.S15 · Figure S8 · Fig. S8
As-synthesised Y6HOTP2 powder/crystalsresearch_0007__mat__y6hotp2Powder · Target Sample · Pristine FrameworkWashed by sequential soaking in deoxygenated water, methanol and acetonitrile after solvothermal synthesis.SI p.S3 · Typical synthesis of M6HOTP2 · Fig. S11
Y6HOTP2 diffuse-reflectance heating sampleresearch_0007__mat__y6hotp2Powder · Target Sample · Pristine FrameworkGround under dinitrogen with dry KBr and heated at 90 C for 12 h under dinitrogen during diffuse reflectance measurement.~1 wt% MOF mixture with dry KBrSI p.S6 · Diffuse reflectance spectroscopy · Fig. 3