Primary studyCore evidenceTransport Physics

Highly Polarizable Triiodide Anions (I3-) as Cross-Linkers for Coordination Polymers: Closing the Semiconductive Band Gap

He J., Cao P., Wu C. et al. · Inorganic Chemistry · 2015 · 6087-6089

2materials
4samples
1synthesis routes
7measurements
25results
4claims 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.

Phase AssignmentSupport assessment: Medium

Compound 1 is described as water-stable, air-stable, and insoluble in water and common organic solvents; PXRD after boiling-water treatment is provided as supporting evidence.

Caveat: Water stability is supported qualitatively by PXRD pattern comparison; no quantitative dissolution or cycling data are reported.

p002 / article p.6088 · Structure discussion · Figure S3 · Linked to 2 structured results

Structure Property LinkSupport assessment: High

Integrating highly polarizable triiodide anions as cross-linking units in Cu(TMBP)I3 reduces the electronic band gap relative to monoiodide TCuI.

Caveat: Comparison control TCuI is a previously reported compound; this paper reports diffuse-reflectance comparison but does not include its synthesis recipe.

p002 / article p.6088 · Electronic properties · Figure 3 · Linked to 6 structured results

Synthesis MechanismSupport assessment: Medium

I2 needed for triiodide formation was apparently generated by in situ air oxidation of KI during the pre-autoclave stirring step.

Caveat: The paper phrases this as apparent rather than directly proven; main text and SI disagree on whether the air-stirring time was 15 min or about 10 min.

p001 / article p.6087 · Synthesis discussion

Transport MechanismSupport assessment: Medium

The more polarizable I3- linker is linked to the enhanced conductivity of compound 1 compared with insulating TCuI.

Caveat: The reported conductivity for compound 1 is two-probe; the authors explicitly note future four-probe work is needed to exclude contact resistance.

p002 / article p.6088 · Electrical conductivity · Figure S6 · Linked to 3 structured results

Material identities

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

MaterialCompositionStructure contextSource
Cu(TMBP)I3 (compound 1)C10H14N4CuI3; formulated as Cu(TMBP)I3Cu(I) centres four-coordinated by two iodine atoms from two triiodide anions and two nitrogen atoms from two TMBP molecules · 3,3',5,5'-tetramethyl-4,4'-bipyrazole (TMBP); triiodide I3- also acts as an inorganic cross-linking linker2D · PristineWater-stable nonplanar corrugated 2D coordination polymer crystallising in Pbca; Cu/TMBP zigzag chains along b are linked by nearly linear triiodide anions into interlaced sheets.p002 / article p.6088 · Structure discussion · Figures 1 and S2
TCuI(TMBP)CuICuI chains · TMBP linkers3D · PristinePreviously reported 3D coordination polymer consisting of CuI chains integrated by TMBP linkers; used here as a monoiodide comparison without I3- linkers.p002 / article p.6088 · Electronic properties comparison · Figure 3 and Figure S5

Sample register

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

Show 4 sample records
SampleForm and roleProcessing and geometrySource
powder sample of compound 1research_0391__mat__cu_tmbp_i3_1Powder · Target Sample · Pristine FrameworkSolid sample finely ground and pressed between two Mylar tapes for optical diffuse reflectance; as-made bulk powder and boiled-water-treated powder used for PXRD comparison.about 1.0 mm for diffuse-reflectance sample pressed between Mylar tapesp002 / SI p.S2 · General Procedure · Figures S3 and S4
black needle-like single crystals of compound 1research_0391__mat__cu_tmbp_i3_1Single Crystal · Target Sample · Pristine FrameworkHydrothermally grown; collected by suction filtration, washed several times with distilled water, and dried in air.p003 / SI p.S3 · Synthesis of single crystals of 1
TCuI comparison sampleresearch_0391__mat__tcui_controlUnknown · Pristine Control · Pristine FrameworkComparison/control sample for reported insulating conductivity.p002 / article p.6088 · Electrical conductivity comparison
powder sample of TCuIresearch_0391__mat__tcui_controlPowder · Pristine Control · Pristine FrameworkPreviously reported TCuI sample used for optical diffuse-reflectance comparison.p002 / article p.6088 · Electronic properties comparison · Figure 3