Okubo T., Tanaka N., Anma H. et al. · Polymers · 2012 · 1613-1626
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.
Although 1a and 1b have HOMO/LUMO levels suitable for DSSC sensitizers, their DSSC current and efficiency are low relative to 2a and 2b, likely because of low visible absorption and low conductivity.
Caveat: DSSC fabrication uses polymer/TiO2 composites; pristine transport is supporting evidence, not an isolated device variable.
p010 (journal p1622) · 3.4 · Table 1 · Linked to 12 structured results
The 3D Cu(I)-Cu(II) comparator 3 has high conductivity but low DSSC efficiency because its LUMO level is below the TiO2 conduction band.
Caveat: The HOMO value for 3 refers to SI Figure S2, whose image is missing from the local text-only SI, but the numerical value is stated in main text.
p010 (journal p1622) · 3.4 · Linked to 4 structured results
Compounds 1a and 1b are 1D halide-bridged Cu(I)-Ni(II) heterometal coordination polymers with infinite-chain structures.
Caveat: CIFs were not locally available, but main text and rendered SI tables report cell parameters, refinement statistics, and key bond lengths.
p004-p005 (journal p1616-p1617) · 3.1 · Figure 1 · Linked to 10 structured results
The lower conductivities of the Cu(I)-Ni(II) coordination polymers are attributed to smaller overlap of d orbitals and ligand HOMO/LUMO levels than in Cu(II)-dithiocarbamate coordination polymers.
Caveat: Mechanistic interpretation is qualitative; no direct band-structure calculation is reported.
p007 (journal p1619) · 3.3 · Linked to 5 structured results
The 1D Cu(I)-Ni(II) heterometal coordination polymers 1a and 1b behave as insulators below 350 K, with sigma300K below 10^-12 S cm^-1.
Caveat: The authors state observed DC conductivities below 350 K may be leakage current rather than true bulk conductivity.
p007-p008 (journal p1619-p1620) · 3.3 · Figures 4-5 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| [CuI2NiIIBr2(Hm-dtc)2(CH3CN)2]n (1a) | [Cu2NiBr2(Hm-dtc)2(CH3CN)2]n / C18H30Br2Cu2N4NiS4 repeat formulationCu(I) dinuclear units and square-planar Ni(II) dithiocarbamate units · hexamethylene dithiocarbamate (Hm-dtc); acetonitrile ligands; bromide bridges | 1D · PristineHalide-bridged 1D infinite-chain Cu(I)-Ni(II) heterometal coordination polymer, monoclinic P21/c. | p003 (journal p1615) · Introduction; 2.2 |
| [CuI2NiIII2(Hm-dtc)2(CH3CN)2]n (1b) | [Cu2NiI2(Hm-dtc)2(CH3CN)2]n / C18H30Cu2I2N4NiS4 repeat formulationCu(I) dinuclear units and square-planar Ni(II) dithiocarbamate units · hexamethylene dithiocarbamate (Hm-dtc); acetonitrile ligands; iodide bridges | 1D · PristineIodide-bridged 1D infinite-chain Cu(I)-Ni(II) heterometal coordination polymer, isostructural with 1a, monoclinic P21/c. | p003 (journal p1615) · Introduction; 2.3 |
| [CuI2CuIIBr2(Hm-dtc)2(CH3CN)2]n (2a) | [CuI2CuIIBr2(Hm-dtc)2(CH3CN)2]nMixed-valence Cu(I)-Cu(II) halide-bridged units · hexamethylene dithiocarbamate (Hm-dtc); acetonitrile ligands; bromide bridges | 1D · PristinePreviously reported 1D mixed-valence Cu(I)-Cu(II) coordination polymer used as conductive comparator and DSSC sensitizer. | p002 (journal p1614) · Introduction |
| [CuI2CuIII2(Hm-dtc)2(CH3CN)2]n (2b) | [CuI2CuIII2(Hm-dtc)2(CH3CN)2]nMixed-valence Cu(I)-Cu(II) halide-bridged units · hexamethylene dithiocarbamate (Hm-dtc); acetonitrile ligands; iodide bridges | 1D · PristinePreviously reported 1D mixed-valence Cu(I)-Cu(II) coordination polymer used as conductive comparator and DSSC sensitizer. | p002 (journal p1614) · Introduction |
| {[CuI4CuII2Br4(Pyr-dtc)4].CHCl3}n (3) | {[CuI4CuII2Br4(Pyr-dtc)4].CHCl3}nMixed-valence Cu(I)-Cu(II) bromide-containing network · pyrrolidine dithiocarbamate (Pyr-dtc); chloroform guest/solvate | 3D · PristinePreviously reported 3D mixed-valence Cu(I)-Cu(II) coordination polymer used as conductive comparator and DSSC sensitizer. | p002 (journal p1614) · Introduction |
| Ni(Hm-dtc)2 mononuclear complex | Ni(Hm-dtc)2Mononuclear Ni(II) dithiocarbamate complex · hexamethylene dithiocarbamate (Hm-dtc) | 0D · Model SystemMolecular precursor/reference complex, not a coordination polymer framework. | p003 (journal p1615) · 2.1. Materials |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| 1a/KBr transmission pelletresearch_0724__mat__cp_1a_cu_ni_br_hm_dtc | Pellet · Target Sample · Composite | 0.5 umol coordination polymer ground with 50 mg KBr for 5 min and pressed into a pellet.KBr powder matrix · 13 mm diameter pellet maker | p002 · Supporting Information · Figure S3 |
| 1b/KBr transmission pelletresearch_0724__mat__cp_1b_cu_ni_i_hm_dtc | Pellet · Target Sample · Composite | 0.5 umol coordination polymer ground with 50 mg KBr for 5 min and pressed into a pellet.KBr powder matrix · 13 mm diameter pellet maker | p002 · Supporting Information · Figure S3 |
| 2a/KBr transmission pelletresearch_0724__mat__cp_2a_cu_cu_br_hm_dtc | Pellet · Pristine Control · Composite | 0.5 umol coordination polymer ground with 50 mg KBr for 5 min and pressed into a pellet.KBr powder matrix · 13 mm diameter pellet maker | p002 · Supporting Information · Figure S3 |
| 2b/KBr transmission pelletresearch_0724__mat__cp_2b_cu_cu_i_hm_dtc | Pellet · Pristine Control · Composite | 0.5 umol coordination polymer ground with 50 mg KBr for 5 min and pressed into a pellet.KBr powder matrix · 13 mm diameter pellet maker | p002 · Supporting Information · Figure S3 |
| 1a single crystals from filtrateresearch_0724__mat__cp_1a_cu_ni_br_hm_dtc | Single Crystal · Target Sample · Pristine Framework | Crystals suitable for single-crystal X-ray analysis obtained from the filtrate in several days. | p003 (journal p1615) · 2.2. Synthesis of 1a |
| 1a/MgO diffuse-reflectance pelletresearch_0724__mat__cp_1a_cu_ni_br_hm_dtc | Pellet · Target Sample · Composite | 0.01 mmol 1a mixed with 80 mg MgO powder for diffuse-reflectance UV-Vis-NIR spectroscopy.MgO powder matrix | p006 (journal p1618) · 3.2. Determination of HOMO and LUMO Levels · Figure 2 |
| 1a powder-pressed pelletresearch_0724__mat__cp_1a_cu_ni_br_hm_dtc | Pellet · Target Sample · Pristine Framework | Powder-pressed pellet sandwiched by 13 mm diameter brass electrodes.brass electrodes for electrical testing · 0.239 mm | p007 (journal p1619) · 3.3. Electroconducting and Dielectric Properties |
| 1b single crystals from filtrateresearch_0724__mat__cp_1b_cu_ni_i_hm_dtc | Single Crystal · Target Sample · Pristine Framework | Crystals suitable for single-crystal X-ray analysis obtained from the filtrate in several days. | p003 (journal p1615) · 2.3. Synthesis of 1b |
| 1b/MgO diffuse-reflectance pelletresearch_0724__mat__cp_1b_cu_ni_i_hm_dtc | Pellet · Target Sample · Composite | 0.01 mmol 1b mixed with 80 mg MgO powder for diffuse-reflectance UV-Vis-NIR spectroscopy.MgO powder matrix | p006 (journal p1618) · 3.2. Determination of HOMO and LUMO Levels · Figure 2 |
| 1b powder-pressed pelletresearch_0724__mat__cp_1b_cu_ni_i_hm_dtc | Pellet · Target Sample · Pristine Framework | Powder-pressed pellet sandwiched by 13 mm diameter brass electrodes.brass electrodes for electrical testing · 0.164 mm | p007 (journal p1619) · 3.3. Electroconducting and Dielectric Properties |
| 2a comparator coordination polymerresearch_0724__mat__cp_2a_cu_cu_br_hm_dtc | Powder · Pristine Control · Pristine Framework | Previously reported comparator used for transport and DSSC comparison in this paper. | p002 (journal p1614) · Introduction |
| 2b comparator coordination polymerresearch_0724__mat__cp_2b_cu_cu_i_hm_dtc | Powder · Pristine Control · Pristine Framework | Previously reported comparator used for transport and DSSC comparison in this paper. | p002 (journal p1614) · Introduction |
| 3 comparator coordination polymerresearch_0724__mat__cp_3_cu_cu_br_pyr_dtc | Powder · Pristine Control · Pristine Framework | Previously reported 3D comparator used for transport, photoemission, and DSSC comparison in this paper. | p002 (journal p1614) · Introduction |
| DSSC with 1a/TiO2 photoelectroderesearch_0724__mat__cp_1a_cu_ni_br_hm_dtc | Electrode · Target Sample · Composite | Coordination polymer directly mixed with TiO2 paste, painted on ITO, annealed, assembled with PEDOT-TMA counter-electrode and LiI/I2 electrolyte.ITO glass substrate; sandwich-type DSSC · 50 um spacer; cell device area 0.30 cm2 | p004 (journal p1616) · 2.5. Fabrication of DSSCs |
| DSSC with 1b/TiO2 photoelectroderesearch_0724__mat__cp_1b_cu_ni_i_hm_dtc | Electrode · Target Sample · Composite | Coordination polymer directly mixed with TiO2 paste, painted on ITO, annealed, assembled with PEDOT-TMA counter-electrode and LiI/I2 electrolyte.ITO glass substrate; sandwich-type DSSC · 50 um spacer; cell device area 0.30 cm2 | p004 (journal p1616) · 2.5. Fabrication of DSSCs |
| DSSC with 2a/TiO2 photoelectroderesearch_0724__mat__cp_2a_cu_cu_br_hm_dtc | Electrode · Composite Sample · Composite | Coordination polymer directly mixed with TiO2 paste, painted on ITO, annealed, assembled with PEDOT-TMA counter-electrode and LiI/I2 electrolyte.ITO glass substrate; sandwich-type DSSC · 50 um spacer; cell device area 0.30 cm2 | p004 (journal p1616) · 2.5. Fabrication of DSSCs |
| DSSC with 2b/TiO2 photoelectroderesearch_0724__mat__cp_2b_cu_cu_i_hm_dtc | Electrode · Composite Sample · Composite | Coordination polymer directly mixed with TiO2 paste, painted on ITO, annealed, assembled with PEDOT-TMA counter-electrode and LiI/I2 electrolyte.ITO glass substrate; sandwich-type DSSC · 50 um spacer; cell device area 0.30 cm2 | p004 (journal p1616) · 2.5. Fabrication of DSSCs |
| DSSC with 3/TiO2 photoelectroderesearch_0724__mat__cp_3_cu_cu_br_pyr_dtc | Electrode · Composite Sample · Composite | Coordination polymer directly mixed with TiO2 paste, painted on ITO, annealed, assembled with PEDOT-TMA counter-electrode and LiI/I2 electrolyte.ITO glass substrate; sandwich-type DSSC · 50 um spacer; cell device area 0.30 cm2 | p004 (journal p1616) · 2.5. Fabrication of DSSCs |
| Ni(Hm-dtc)2/MgO diffuse-reflectance pelletresearch_0724__mat__ni_hm_dtc2 | Pellet · Model System · Model | 0.01 mmol Ni(Hm-dtc)2 mixed with 80 mg MgO powder for diffuse-reflectance UV-Vis-NIR spectroscopy.MgO powder matrix | p006 (journal p1618) · 3.2. Determination of HOMO and LUMO Levels · Figure 2 |