Primary studyCore evidenceTransport Physics

A conducting coordination polymer based on assembled Cu9 cages

Delgado S., Sanz Miguel P.J., Priego J.L. et al. · Inorganic Chemistry · 2008 · 9128-9130

3materials
7samples
2synthesis routes
12measurements
40results
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

Compound 1 is a highly semiconducting 1D coordination polymer with solid-state conductivity relevant to conducting materials.

Caveat: Only two single crystals were measured; no long-term stability or device data are reported.

main p.1 and p.3, article pp.9128-9130 · abstract and main text · Figure 2 · Linked to 3 structured results

Phase AssignmentSupport assessment: High

Compound 2 contains a linear Cu-S-Cu bridge, reported as the first copper example among rare transition-metal linear sulfur bridges.

Caveat: Novelty claim is limited to the authors' literature comparison in Table SI-6.

main p.2, article p.9129 · main text · Table SI-6 · Linked to 2 structured results

Structure Property LinkSupport assessment: Medium

The emission band of compound 1 is tentatively assigned to an intraligand transition because its emission is similar in energy to the free 2-dpds ligand.

Caveat: The text contains an inconsistency between the reported maxima and the stated red shift.

main p.3, article p.9130 · main text · Figure SI-3 · Linked to 2 structured results

Structure Property LinkSupport assessment: Medium

The unusual 1D Cu9 cage architecture and numerous sulfur bridges motivated the conductivity study and are proposed to be relevant to electrical transport.

Caveat: The paper does not provide a quantitative transport model linking specific structural parameters to conductivity.

main p.3, article p.9130 · main text · Linked to 3 structured results

Synthesis MechanismSupport assessment: Medium

Formation of compounds 1 and 2 is proposed to involve homolytic rupture of S-S and S-C(sp2) bonds in 2-dpds, followed by radical recombination and Cu(II) reduction to Cu(I).

Caveat: The paper describes this as a feasible postulated mechanism rather than direct observation of radical intermediates.

main p.2-3, article pp.9129-9130 · main text · Linked to 4 structured results

Transport MechanismSupport assessment: High

The conductivity of compound 1 follows classical semiconducting behaviour with an activation energy around 110 meV.

Caveat: Mechanistic assignment is based on Arrhenius behaviour over the measured temperature range; raw data were not supplied.

main p.3, article p.9130 · main text · Figure 2 · Linked to 3 structured results

Material identities

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

MaterialCompositionStructure contextSource
compound 1; {[Cu9(C5H5NS)8(SH)8](BF4)}n{[Cu9(C5H5NS)8(SH)8](BF4)}n; SI elemental-analysis basis C40H48BCu9F4N8S16Cu(I) centres assembled into Cu9 cluster cages; Cu1, Cu2 and Cu3 sites in a 4:1:4 ratio. · 2-pyridylthione-derived C5H5NS ligands and SH/sulfide bridges generated by 2,2'-dipyridyldisulfide cleavage; BF4 counteranion.1D · PristineQuasi-1D Cu(I) coordination polymer based on assembled Cu9 cages extended along the c axis; tetragonal I-4 crystal structure.main p.2, article p.9129 · main text · Figure 1; Scheme 1
compound 2; {[Cu(2-dps)2]2(mu-S)}(BF4)2(CH2Cl2)4{[Cu(2-dps)2]2(mu-S)}(BF4)2(CH2Cl2)4; SI elemental-analysis basis C44H36B2Cl8Cu2F8N8S5Dinuclear Cu(II) unit with a linear sulfur bridge. · 2,2'-dipyridylsulfide (2-dps), BF4 counterions and CH2Cl2 solvate.0D · UnknownCentrosymmetric binuclear Cu(II) molecular complex, triclinic P-1, isolated as a concomitant crystalline product.main p.2, article p.9129 · main text · Scheme 1; Figure SI-5
2-dpds ligand reference2,2'-dipyridyldisulfide2,2'-dipyridyldisulfide0D · UnknownMolecular reagent/reference ligand used for photoluminescence comparison and as precursor.main p.2, article p.9129 · main text · Scheme 1

Sample register

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

Show 7 sample records
SampleForm and roleProcessing and geometrySource
compound 1 polycrystalline magnetic sampleresearch_0386__mat__cu9_cage_polymer_1Powder · Target Sample · Pristine FrameworkPolycrystalline sample measured by SQUID magnetometry from 2 to 300 K.SI p.S-1 · Materials and Methods
compound 1 conductivity crystal, higher-conductivity specimenresearch_0386__mat__cu9_cage_polymer_1Single Crystal · Target Sample · Pristine FrameworkSingle crystal contacted with Pt wires along the long needle axis using graphite paste.SI p.S-10 · Conductivity Measurements
compound 1 conductivity crystal, lower-conductivity specimenresearch_0386__mat__cu9_cage_polymer_1Single Crystal · Target Sample · Pristine FrameworkSingle crystal contacted with Pt wires along the long needle axis using graphite paste.SI p.S-10 · Conductivity Measurements
compound 1 powder pellet for XPSresearch_0386__mat__cu9_cage_polymer_1Pellet · Target Sample · Pristine FrameworkPowder sample pressed as pellets and analysed under UHV.SI p.S-1 · Materials and Methods
compound 1 yellow crystalsresearch_0386__mat__cu9_cage_polymer_1Single Crystal · Target Sample · Pristine FrameworkYellow crystals obtained by microwave solvothermal synthesis, washed with CH2Cl2 and dried in air.SI p.S-2 · Synthesis and Characterization
compound 2 crystalsresearch_0386__mat__cu_dimer_2Single Crystal · Paper Level Unspecified · UnknownCrystals formed from the filtrate after removal of compound 1 by standing at 0 C for 3 weeks.SI p.S-2 · Synthesis and Characterization · Table SI-3
free 2-dpds ligand solidresearch_0386__mat__dpds_ligand_referencePowder · Paper Level Unspecified · UnknownCommercial/reagent grade 2-dpds ligand used as obtained and measured as a solid reference for emission.SI p.S-1 · Materials and Methods