Primary studyCore evidenceTransport Physics

Pd uptake and H2S sensing by an amphoteric metal-organic framework with a soft core and rigid side arms

Cui J., Wong Y.-L., Zeller M. et al. · Angewandte Chemie - International Edition · 2014 · 14438-14442

3materials
12samples
10synthesis routes
13measurements
35results
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

BFMOF-1/BFMOF-1a crystallites provide a colourimetric platform for H2S detection in water-based biological and environmental assays, with a visible response at 0.60 ppm.

Caveat: Response is demonstrated photographically in batch/vial conditions at 80 C for 0.5 h, not as an integrated device.

main p.4, article p.14441 · H2S sensing · Figure 4 · Linked to 4 structured results

CaveatSupport assessment: High

Despite charge-transfer wording in the PdCl2 uptake discussion, the paper reports no first-hand electrical transport, thermoelectric or electrochemical measurements.

Caveat: Based on reading the full main text and SI text layers supplied for extraction.

main all pages · Full article · Linked to 1 structured result

Structure Property LinkSupport assessment: High

BFMOF-1a is an amphoteric host combining free-standing thioether/alkyne/ether donor sites with accessible Pb(II) acceptor sites, enabling uptake of Lewis acids such as PdCl2 and Lewis bases such as H2S.

Caveat: Binding modes for guest-loaded phases are inferred from uptake, colour, XPS and PXRD; single-crystal XRD of 1a-H2S was stated to be underway.

main p.1, article p.14438 · Introduction/abstract · Linked to 3 structured results

Structure Property LinkSupport assessment: High

Solvent exchange/desolvation converts BFMOF-1 into BFMOF-1a through a single-crystal-to-single-crystal transformation with substantial contraction and retained Pb6O2 topology.

Caveat: BFMOF-1a refinement has larger residual electron density and disorder due to the transformation.

main p.2-p.3, article p.14439-p.14440 · Transformation and structure · Figures 1-3 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

H2S binds as an electron donor to Pb centres in BFMOF-1a, shifting Pb 4f XPS peaks to lower binding energy and producing a dark red colour.

Caveat: The 4f7/2 figure labels are rounded and do not resolve the slight shift visually; the main text states the shift qualitatively.

main p.3, article p.14440 · H2S uptake · Figure S11 · Linked to 4 structured results

Transport MechanismSupport assessment: Medium

The dark colour after PdCl2 uptake is qualitatively assigned to charge transfer from linker HOMOs to PdCl2 LUMOs, assisted by ether/thioether donors and low-lying Pd(II) 4d orbitals.

Caveat: This is a qualitative optical/electronic interpretation, not supported by electrical conductivity measurements.

main p.3, article p.14440 · PdCl2 uptake · Figure S6 · Linked to 2 structured results

Material identities

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

MaterialCompositionStructure contextSource
BFMOF-1-DMFC72H55NO14Pb3S4.2(C3H7NO)Pb-carboxylate framework related to BFMOF-1. · Backfolded tetracarboxylate linker L.3D · PristineIsoreticular DMF-solvated framework; triclinic P-1 by Table S1.main p.5, article p.14442 · Reference 13 · Table S1
BFMOF-1Pb6O2(C69H48O12S4)2(DMA)3(H2O)2; crystallographic formula C150H125N3O30Pb6S8Centrosymmetric Pb6O2(CO2)8 cluster; Pb(II) centres with carboxylate, water and weak thioether contacts. · Backfolded tetracarboxylate linker L, pentaerythritol tetra-2-(4-ethynylphenyl)methylsulfane-p-methyl benzoic acid.3D · PristineTriclinic P-1, distorted fluorite net dissected as fused diamondoid subnets; (4,8)-connected net with L 4-connected and Pb block 8-connected.main p.2, article p.14439 · Framework synthesis and crystal structure · Figures 1-2
BFMOF-1aPb6O2(C69H48O12S4)2; crystallographic formula C138H96O26Pb6S8Pb6O2(CO2)8 cluster retained after desolvation, with weak Pb-S contacts. · Backfolded tetracarboxylate linker L.3D · PristineTriclinic P-1 daughter phase; contracted, more distorted fluorite topology without DMA.main p.3, article p.14440 · Transformation and structure · Figures 1-3

Sample register

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

Show 12 sample records
SampleForm and roleProcessing and geometrySource
As-prepared BFMOF-1 single crystalsresearch_0501__mat__bfmof_1_parentSingle Crystal · Target Sample · Pristine FrameworkSolvothermal crystal product containing DMA and H2O guests.SI p.S6-S7 · Crystallization of BFMOF-1
BFMOF-1-DMF single crystalresearch_0501__mat__bfmof_1_dmf_isoreticularSingle Crystal · Target Sample · Pristine FrameworkCrystallised using DMF in place of DMA; detailed recipe not separately reported.SI p.S15 · Single Crystal X-ray Crystallography · Table S1
BFMOF-1 H2S aqueous sensing seriesresearch_0501__mat__bfmof_1_parentSingle Crystal · Target Sample · Pristine FrameworkBFMOF-1 crystal sample divided into six vials and heated in NaSH/H2S solutions at 80 C for 0.5 h.SI p.S8 · Detection of H2S · Figure 4
BFMOF-1 prime regenerated by DMA heatingresearch_0501__mat__bfmof_1_parentSingle Crystal · Target Sample · Pristine FrameworkBFMOF-1a heated in DMA at 120 C for 12 h.main p.3, article p.14440 · PXRD dynamics · Figure 3, Figure S3
1a-AgBF4research_0501__mat__bfmof_1a_desolvatedSingle Crystal · Target Sample · Guest LoadedBFMOF-1a treated with AgBF4 in toluene for about 12 h at room temperature.SI p.S8 · Treatment of BFMOF-1a by AgBF4
1a-CdCl2research_0501__mat__bfmof_1a_desolvatedSingle Crystal · Target Sample · Guest LoadedBFMOF-1a treated with CdCl2 in 1:1 dichloromethane/ethanol for about 12 h at room temperature.SI p.S9 · Treatment of BFMOF-1a by CdCl2
BFMOF-1a desolvated/solvent-exchanged crystalsresearch_0501__mat__bfmof_1a_desolvatedSingle Crystal · Pristine Control · Pristine FrameworkBFMOF-1 immersed in ethanol, CH3CN or CH2Cl2 at room temperature and transformed within about 0.5 h.SI p.S7 · Transformation of BFMOF-1 into BFMOF-1a
1a-H2Sresearch_0501__mat__bfmof_1a_desolvatedSingle Crystal · Target Sample · Guest LoadedBFMOF-1a exposed to H2S gas at room temperature for 0.5 h.SI p.S8 · 1a-H2S from treatment of BFMOF-1a with H2S gas
1a-HgCl2research_0501__mat__bfmof_1a_desolvatedSingle Crystal · Target Sample · Guest LoadedBFMOF-1a treated with HgCl2 in dichloromethane for about 12 h at room temperature.SI p.S8 · Treatment of BFMOF-1a by HgCl2
1a-Pd-H2research_0501__mat__bfmof_1a_desolvatedPowder · Target Sample · Guest Loaded1a-PdCl2 treated under H2 atmosphere for 3 h in SI photographs; main text notes darkening within 1 h.SI p.S11 · Figure S5 caption · Figure S5
1a-PdCl2research_0501__mat__bfmof_1a_desolvatedSingle Crystal · Target Sample · Guest LoadedBFMOF-1a treated with saturated dichloromethane solution of Pd(CH3CN)2Cl2 for about 12 h at room temperature.SI p.S7-S8 · 1a-PdCl2 from treatment of BFMOF-1a
1a-PtCl2research_0501__mat__bfmof_1a_desolvatedSingle Crystal · Target Sample · Guest LoadedBFMOF-1a treated with Pt(CH3CN)2Cl2 in dichloromethane for about 12 h at room temperature.SI p.S8-S9 · Treatment of BFMOF-1a by Pt(CH3CN)2Cl2