Mian M.R., Iguchi H., Takaishi S. et al. · Journal of the American Chemical Society · 2017 · 6562-6565
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.
No porosity, gas-sorption or electrochemical-application measurements are reported for compound 3 in the provided main text or SI.
Caveat: The paper focuses on electronic structure, conductivity, thermoelectric sign and thermal stability of an MX chain.
SI p.S1 · Table of Contents
Compound 3 is assigned to the Pd(III) averaged-valence state rather than a Pd(II/IV) mixed-valence state.
Caveat: Assignment is based on structural, Raman, STM and ESR evidence; the paper notes further NQR studies are underway.
main pp.2-3, article pp.6563-6564 · Electronic-state assignment · Figures 2 and 3; Figure S4 · Linked to 5 structured results
The Pd(III) averaged-valence state in compound 3 remains stable until decomposition at 443 K.
Caveat: The claim is bounded by decomposition; no post-decomposition recovery is reported.
main p.2, article p.6563 · Thermal stability of AV state · Figure 2a; Figures S1-S2 · Linked to 3 structured results
Additional hydroxy-group hydrogen bonding to Br(Y) counteranions increases interchain spacing while preserving N...Br hydrogen bonding, shortening the Pd-Br-Pd distance.
Caveat: Mechanistic interpretation is based on comparison with two previously reported PdBr chains, not an in-paper synthetic series.
main p.3, article p.6564 · Origin of short d(Pd-Br-Pd) · Table 1 · Linked to 5 structured results
Compound 3 has exceptionally high room-temperature conductivity for a PdBr/MX chain, 3-38 S cm-1 across 12 crystals.
Caveat: The range reflects crystal-to-crystal variation; authors attribute high conductivity partly to Pd(II) impurities from rapid chemical oxidation.
main p.3, article p.6564 · Electrical conductivity · Figure 4b · Linked to 2 structured results
The transport activation gap is much smaller than the optical band gap, suggesting an indirect band gap in compound 3.
Caveat: The 192 meV transport gap is calculated from the reported Ea; the paper does not directly measure a band structure.
main p.3, article p.6564 · Electrical conductivity · Figure 4a; Figure S5 · Linked to 3 structured results
Compound 3 behaves as an n-type semiconductor with electrons as conduction carriers.
Caveat: Carrier sign is inferred from Seebeck coefficient; carrier density was not separately quantified.
main p.3, article p.6564 · Transport mechanism discussion · Linked to 2 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| (2S,3S)-2,3-diaminobutane-1,4-diol (dabdOH) | C4H12N2O2not_applicable · Hydroxy-functionalised diamine ligand used in compound 3. | 0D · UnknownMolecular ligand precursor. | SI p.S3 · Synthesis of (2S,3S)-2,3-diaminobutane-1,4-diol (dabdOH) |
| [Pd(dabdOH)2]Br2 precursor | C8H24Br2N4O4Pd; [Pd(dabdOH)2]Br2Pd complex precursor to the oxidised Pd-Br chain. · dabdOH ligand. | 0D · UnknownSynthetic intermediate isolated as a white solid before bromine oxidation. | SI p.S3 · Syntheses of [Pd(dabdOH)2]Br2 and [Pd(dabdOH)2Br]Br2 (3) |
| [Pd(dabdOH)2Br]Br2, compound 3 | C8H24Br3N4O4Pd; [Pd(dabdOH)2Br]Br2One-dimensional bromide-bridged Pd chain with Pd assigned to the averaged Pd(III) state. · (2S,3S)-2,3-diaminobutane-1,4-diol (dabdOH) in-plane ligand; Br- counteranion/hydrogen-bond acceptor. | 1D · PristineMonoclinic C2 Pd-Br chain running along the b axis; multiple NH...Br(Y) and OH...Br(Y) hydrogen bonds connect and stabilise chains. | main p.2, article p.6563 · Results and discussion · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Polycrystalline compound 3research_0213__mat__pd_dabdoh_br_chain_3 | Powder · Target Sample · Pristine Framework | Polycrystalline sample used for ESR spectra and spin susceptibility. | main p.3, article p.6564 · Electronic-state characterisation · Figure S4 |
| Copper-luster rod-like single crystals of compound 3research_0213__mat__pd_dabdoh_br_chain_3 | Single Crystal · Target Sample · Pristine Framework | Crystals obtained by Br2 vapour diffusion oxidation; crystals used for structure, STM, electrical transport and optical/physical measurements. | SI p.S3 · Syntheses of [Pd(dabdOH)2]Br2 and [Pd(dabdOH)2Br]Br2 (3) |
| dabdOH colourless syrupresearch_0213__mat__dabdoh_ligand | Unknown · Paper Level Unspecified · Unknown | Hydrogenation product after Pd/C filtration, solvent removal and drying. | SI p.S3 · Synthesis of (2S,3S)-2,3-diaminobutane-1,4-diol (dabdOH) |
| [Pd(dabdOH)2]Br2 white solid precursorresearch_0213__mat__pd_dabdoh2_br2_precursor | Powder · Paper Level Unspecified · Unknown | Filtered and evaporated under reduced pressure before use in Br2 vapour diffusion. | SI p.S3 · Syntheses of [Pd(dabdOH)2]Br2 and [Pd(dabdOH)2Br]Br2 (3) |