Xie L.S., Park S.S., Chmielewski M.J. et al. · Angewandte Chemie - International Edition · 2020 · 19623-19626
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.
Attempted chemical oxidation or reduction with TCNE, iodine, NOBF4, or cobaltocene did not produce higher conductivities for the Ni(dbg)2 MOFs.
Caveat: Reported only for selected Mn/Cd treatments; Zn redox-treatment conductivity was not reported.
p003 · Results · Figure S25; Table S13 · Linked to 6 structured results
Mn2[Ni(dbg)2], Zn2[Ni(dbg)2], and Cd2[Ni(dbg)2] are isostructural to one another and to the corresponding M2(TTFTB) MOFs, with helical Ni(dbg)2 stacks and 1D rhombic pores along c.
Caveat: Mn and Cd measured crystals exhibited inversion twinning; pore solvent was treated with SQUEEZE.
p002 · Results · Figure 1; Tables S1-S3 · Linked to 6 structured results
The Ni(dbg)2 MOFs have conductivities below TTFTB congeners likely because the as-synthesised frameworks lack linker oxidation or mixed valency and therefore have lower carrier concentrations.
Caveat: Carrier concentration is inferred from absence of radical signatures and comparison to TTFTB analogues, not directly measured here.
p003 · Results · Figure S24 · Linked to 2 structured results
Single-crystal conductivity along the c-axis linker-stacking direction and much lower pressed-pellet values support anisotropic through-space charge transport along the Ni(dbg)2 stacking pathway.
Caveat: Single-crystal Zn conductivity could not be measured because of crystal-size limitations.
p003 · Results · Tables S7-S12; Figure S23 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cd2[Ni(dbg)2] (Cd) | Cd2[Ni(dbg)2]; analytical formula Cd2[Ni(C16H9N2O6)2](H2O)2*(H2O)1.7*(EtOH)0.2Cd2+ framework metal centres in 1D inorganic SBUs; edge-sharing polyhedra compress the helical pitch and increase helix diameter. · Ni(dbg)2 tetratopic nickel glyoximate metallolinker. | 3D · PristineHexagonal P65/P61 family, isostructural with the Mn and Zn analogues; Cd has the largest slip distance in the series. | p002-p003 · Results · Figure 4; Table 1 |
| H4Ni(dbg)2 nickel(II) bis(dibenzoateglyoximate) metallolinker | H4Ni(dbg)2; elemental-analysis formula H4Ni(dbg)2*0.5H2O (C32H23N4NiO12.5)Molecular square-planar Ni(II) bis(glyoximate) core. · Dibenzoateglyoximate (dbg) arms; precursor linker for the MOFs. | 0D · UnknownMolecular metallolinker prepared by metalation of glyoxime dibenzoic acid and acidification of Na4Ni(dbg)2. | p001 · Introduction · Scheme 1 |
| Mn2[Ni(dbg)2] (Mn) | Mn2[Ni(dbg)2]; analytical formula Mn2[Ni(C16H9N2O6)2](H2O)*(H2O)1.8*(EtOH)Mn2+ framework metal centres coordinated by linker carboxylates and solvent oxygens in 1D inorganic SBUs; five-coordinate Mn2+ corner-sharing polyhedra. · Ni(dbg)2 tetratopic nickel glyoximate metallolinker. | 3D · PristineHexagonal P65/P61 family, isostructural with M2(TTFTB) MOFs; helical Ni(dbg)2 linker stacks along c and rhombic 1D pores along c. | p001-p002 · Results · Figure 1; Tables S1-S3 |
| Zn2[Ni(dbg)2] (Zn) | Zn2[Ni(dbg)2]; analytical formula Zn2[Ni(C16H9N2O6)2](H2O)0.3(EtOH)0.4Zn2+ framework metal centres in 1D inorganic SBUs, described as alternating tetrahedra and pseudo-octahedra without shared oxygen atoms. · Ni(dbg)2 tetratopic nickel glyoximate metallolinker. | 3D · PristineHexagonal P6522/P6122 family, isostructural with the Mn and Cd analogues; shortest interplanar, Ni...Ni, and slip distances among the series. | p002-p003 · Results · Figure 1; Table 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Cd activated bulk microcrystalline powderresearch_0136__mat__mat_cd_ni_dbg2 | Powder · Target Sample · Pristine Framework | Orange microcrystalline powder after EtOH solvent exchange and supercritical CO2 drying. | S21 · Synthesis of bulk Cd |
| Cd cobaltocene-treated powderresearch_0136__mat__mat_cd_ni_dbg2 | Powder · Target Sample · Doped | Attempted reduction with 3 mM cobaltocene in MeCN in a nitrogen-filled glovebox at 29 degrees C. | S49 · Attempted reduction with cobaltocene · Table S13 |
| Cd iodine-solution-treated powderresearch_0136__mat__mat_cd_ni_dbg2 | Powder · Target Sample · Doped | Attempted oxidation with 10 mM I2 in toluene at 100 degrees C for 4 days. | S48-S49 · Attempted oxidation with iodine (solution) · Table S13 |
| Cd iodine-vapour-treated powderresearch_0136__mat__mat_cd_ni_dbg2 | Powder · Target Sample · Doped | Attempted oxidation with iodine vapour for 32 days at room temperature. | S48-S49 · Attempted oxidation with iodine (vapor) · Table S13 |
| Cd NOBF4-treated powderresearch_0136__mat__mat_cd_ni_dbg2 | Powder · Target Sample · Doped | Attempted oxidation with 1 mM NOBF4 in MeCN in a nitrogen-filled glovebox at 29 degrees C. | S48-S49 · Attempted oxidation with nitrosonium tetrafluoroborate · Table S13 |
| Cd two-contact pressed pelletresearch_0136__mat__mat_cd_ni_dbg2 | Pellet · Target Sample · Pristine Framework | Powder pressed under approximately 200 MPa for two-probe in situ conductivity.glass tube with stainless-steel rods · usually 0.010-0.030 cm | S6; S42 · Conductivity measurements · Table S12 |
| Cd diffraction-quality/single-crystal device crystalsresearch_0136__mat__mat_cd_ni_dbg2 | Single Crystal · Target Sample · Pristine Framework | Orange needle-shaped crystals soaked in EtOH; gold-wire two-contact devices along c axis used for conductivity.glass substrate for device measurements · needle-shaped single crystals about 100-300 um long for devices | S21; S6 · Synthesis of diffraction-quality crystals of Cd; conductivity measurements · Table S8 |
| Cd TCNE-treated powderresearch_0136__mat__mat_cd_ni_dbg2 | Powder · Target Sample · Doped | Attempted oxidation with 3 mM TCNE in DCM for 5 days at room temperature. | S48-S49 · Attempted oxidation with tetracyanoethylene · Table S13 |
| H4Ni(dbg)2 solution sampleresearch_0136__mat__mat_h4ni_dbg2 | Unknown · Model System · Unknown | 1 mM or 0.025 mM DMF solutions used for CV and optical comparison. | S47 · Electrochemical methods; Figure S25 · Figure S25 |
| Mn activated bulk microcrystalline powderresearch_0136__mat__mat_mn_ni_dbg2 | Powder · Target Sample · Pristine Framework | Orange microcrystalline powder after EtOH solvent exchange and supercritical CO2 drying. | S20 · Synthesis of bulk Mn |
| Mn iodine-vapour-treated powderresearch_0136__mat__mat_mn_ni_dbg2 | Powder · Target Sample · Doped | Attempted oxidative iodine-vapour treatment, resulting dull orange powder. | S48-S49 · Attempted oxidation with iodine (vapor) · Table S13 |
| Mn two-contact pressed pelletresearch_0136__mat__mat_mn_ni_dbg2 | Pellet · Target Sample · Pristine Framework | Powder pressed under approximately 200 MPa for two-probe in situ conductivity.glass tube with stainless-steel rods · usually 0.010-0.030 cm | S6; S42 · Conductivity measurements · Table S10 |
| Mn diffraction-quality/single-crystal device crystalsresearch_0136__mat__mat_mn_ni_dbg2 | Single Crystal · Target Sample · Pristine Framework | Red block-shaped crystals soaked in EtOH; gold-wire two-contact devices along c axis used for conductivity.glass substrate for device measurements · needle-shaped single crystals about 100-300 um long for devices | S20; S6 · Synthesis of diffraction-quality crystals of Mn; conductivity measurements · Table S7 |
| Zn activated bulk microcrystalline powderresearch_0136__mat__mat_zn_ni_dbg2 | Powder · Target Sample · Pristine Framework | Orange microcrystalline powder after EtOH solvent exchange and supercritical CO2 drying. | S20 · Synthesis of bulk Zn |
| Zn two-contact pressed pelletresearch_0136__mat__mat_zn_ni_dbg2 | Pellet · Target Sample · Pristine Framework | Powder pressed under approximately 200 MPa for two-probe in situ conductivity.glass tube with stainless-steel rods · usually 0.010-0.030 cm | S6; S42 · Conductivity measurements · Table S11 |
| Zn diffraction-quality single crystalsresearch_0136__mat__mat_zn_ni_dbg2 | Single Crystal · Target Sample · Pristine Framework | Red block-shaped crystals soaked in EtOH; used for SCXRD, not conductivity because of crystal size limitations. | S20 · Synthesis of diffraction-quality crystals of Zn |