Okubo T., Anma H., Tanaka N. et al. · Chemical Communications · 2013 · 4316-4318
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.
Complex 1 is assigned as a mixed-valence Cu(I)-Cu(II) coordination polymer with formula [Cu3ICuIIBr3(3,5-Dmpip-dtc)2]n and an infinite 2D sheet structure.
Caveat: The main text also writes the neutral crystallographic composition as [Cu4Br3(3,5-Dmpip-dtc)2]n before assigning oxidation states.
1-2 · Crystal-structure discussion · Fig. 1 · Linked to 4 structured results
Magnetic susceptibility indicates relatively strong antiferromagnetic interactions between unpaired electrons in the 2D sheet.
Caveat: Magnetic data are supporting physical characterisation, not the main transport evidence.
4 · Figure S2 caption · Figure S2 · Linked to 3 structured results
The lower optical gap of polymer 1 relative to the mononuclear CuII complex is attributed to energy-band formation from HOMO/LUMO overlap in the infinite 2D sheet.
Caveat: The assignment is based on optical Kubelka-Munk gap comparison and qualitative orbital-overlap reasoning rather than direct band-structure calculation.
2 · Optical spectroscopy discussion · Fig. 2 · Linked to 2 structured results
The high FP-TRMC mobility is proposed to arise from orbital overlap between CuII(3,5-Dmpip-dtc)2 units and Cu(I) ions along a zigzag Cu(dtc)2-Cu(I) pathway in the 2D sheet.
Caveat: The mobility estimate assumes a photocarrier generation yield by analogy to a related 3D coordination polymer.
3 · FP-TRMC discussion and summary · Fig. 4 · Linked to 3 structured results
Complex 1 behaves as a semiconductor with thermally activated conductivity and a negative temperature coefficient of resistance in pellet impedance spectra.
Caveat: Bulk and grain-boundary values are model-dependent equivalent-circuit fit parameters from a pressed powder pellet.
2-3 · Impedance spectroscopy discussion · Fig. 3 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| [Cu3ICuIIBr3(3,5-Dmpip-dtc)2]n | [Cu3ICuIIBr3(3,5-Dmpip-dtc)2]n; empirical formula C16H28Br3Cu4N2S4Mixed-valence Cu(I)-Cu(II): square-planar CuII(3,5-Dmpip-dtc) units connected by trinuclear CuI3Br3 units · 3,5-dimethylpiperidine dithiocarbamate (3,5-Dmpip-dtc-) | 2D · PristineInfinite 2D sheet coordination polymer; asymmetric unit contains four crystallographically independent copper ions, two dithiocarbamate ligands, and three bromide anions. | 1 · Abstract and crystal-structure discussion · Fig. 1 |
| CuII(3,5-Dmpip-dtc)2 | CuII(3,5-Dmpip-dtc)2Mononuclear CuII dithiocarbamate complex · 3,5-dimethylpiperidine dithiocarbamate (3,5-Dmpip-dtc-) | 0D · Model SystemMolecular precursor/control complex used for optical comparison and as a reagent in polymer synthesis. | 1 · Experimental Section - Materials |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| CuII(3,5-Dmpip-dtc)2 in MgO powderresearch_0202__mat__mat_cu_dmpip_dtc2_control | Powder · Pristine Control · Model | 0.01 mmol mononuclear complex doped in 80 mg MgO powder for diffuse-reflectance spectroscopy.MgO powder optical dilution matrix | 2 · Figure 2 caption · Fig. 2 |
| Complex 1 black single crystalsresearch_0202__mat__mat_cu3cu_br3_dmpip_dtc_2d | Single Crystal · Target Sample · Pristine Framework | Black single crystals obtained by recrystallisation with hexane at 40 deg C; suitable for single-crystal X-ray diffraction. | 1 · Experimental Section - Synthesis |
| Complex 1 bulk sample for FP-TRMCresearch_0202__mat__mat_cu3cu_br3_dmpip_dtc_2d | Powder · Target Sample · Pristine Framework | Bulk sample irradiated with 355 nm laser pulses for flash photolysis time-resolved microwave conductivity. | 3 · FP-TRMC discussion · Fig. 4 |
| Polycrystalline sample of 1research_0202__mat__mat_cu3cu_br3_dmpip_dtc_2d | Powder · Target Sample · Pristine Framework | Polycrystalline sample used for SQUID magnetic susceptibility. | 4 · Figure S2 caption · Figure S2 |
| Complex 1 pressed powder pelletresearch_0202__mat__mat_cu3cu_br3_dmpip_dtc_2d | Pellet · Target Sample · Pristine Framework | Pressed powder pellet sandwiched by 13 mm diameter brass electrodes for impedance spectroscopy.0.357 mm | 2 · Impedance spectroscopy discussion · Fig. 3 |
| Single crystal of 1 on Au electrodes / SiO2 substrateresearch_0202__mat__mat_cu3cu_br3_dmpip_dtc_2d | Electrode · Target Sample · Pristine Framework | Single crystal covered by gold paste for DC resistivity measurement.Au electrodes fabricated on SiO2 substrate · 6 micrometre crystal thickness; 50 micrometre interelectrode gap | 5 · Figure S3 caption · Figure S3 |