Sun L., Hendon C.H., Park S.S. et al. · Chemical Science · 2017 · 4450-4457
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.
Cr2+ is proposed as a promising candidate metal ion because its ionisation energy and Coulombic attraction resemble Fe2+ and the Cr3+/2+ couple is accessible.
Caveat: Cr-based MOFs were not synthesised or measured in this paper; this is a forward-looking inference from tabulated ion properties.
4456 · Conclusions
Redox-active metal ions and organic ligands are desirable for designing electrically conductive MOFs, especially when mixed valency can be supported.
Caveat: This is a design inference from four families rather than a universal rule; ligand redox matching may matter more for large intermetallic separations.
4456 · Conclusions · Linked to 2 structured results
Across all four MOF families, Fe-based analogues show the highest conductivities and among the lowest activation energies.
Caveat: Conductivity values are from pressed pellets and two-contact geometry; possible contact effects are addressed by linear I-V behaviour but not eliminated by four-probe controls.
4450 · Abstract · Linked to 8 structured results
The high conductivity of Fe(1,2,3-triazolate)2 is attributed to trace Fe3+/Fe2+ mixed valency rather than the pure low-spin Fe2+ framework.
Caveat: The defect model uses a higher Fe3+ concentration than observed experimentally to make mid-gap states visible.
4455 · Electronic structure calculations · Fig. 8 · Linked to 4 structured results
High-spin Fe2+ in DOBDC, DSBDC, and BTDD frameworks raises the valence-band maximum, giving smaller band gaps and activation energies.
Caveat: DFT was performed on DMF-free M2(DOBDC) and M2(DSBDC) models; M2Cl2(BTDD) was too large and inferred by analogy.
4455 · Discussion · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cd(1,2,3-triazolate)2 | Cd(C2H2N3)2Cd2+ · 1,2,3-triazolate | 3D · Pristinecubic structure with three-dimensional pore networks | 4451 · Experimental results · Fig. 1 |
| Co2Cl2(BTDD)(DMF)2 | Co2Cl2(C12H4N6O2)(C3H7NO)2(CH2Cl2)0.5Co2+ chloride chain · BTDD; chloride; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Co2(DOBDC)(DMF)2Browse family: Co₂(DOBDC) / Co–MOF-74 / CPO-27-Co | Co2(C8H2O6)(C3H7NO)2(CH2Cl2)0.8Co2+ · DOBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Co(1,2,3-triazolate)2 | Co(C2H2N3)2Co2+ · 1,2,3-triazolate | 3D · Pristinecubic structure with three-dimensional pore networks | 4451 · Experimental results · Fig. 1 |
| Cu2(DOBDC)(DMF)2Browse family: Cu₂(DOBDC) / Cu–MOF-74 / CPO-27-Cu | Cu2(C8H2O6)(C3H7NO)2(CH2Cl2)0.35Cu2+ · DOBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Cu(1,2,3-triazolate)2 | Cu(C2H2N3)2(CH2Cl2)0.15Cu2+ · 1,2,3-triazolate | 3D · Pristinecubic structure with three-dimensional pore networks | 4451 · Experimental results · Fig. 1 |
| Fe2Cl2(BTDD)(DMF)2 | Fe2Cl2(C12H4N6O2)(C3H7NO)2(CH2Cl2)0.6Fe2+ chloride chain · BTDD; chloride; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Fe2(DOBDC)(DMF)2Browse family: Fe₂(DOBDC) / Fe–MOF-74 / CPO-27-Fe | Fe2(DOBDC)(DMF)2Fe2+ · DOBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Fe2(DSBDC)(DMF)2Browse family: Fe₂(DSBDC) | Fe2(DSBDC)(DMF)2Fe2+ · DSBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Fe(1,2,3-triazolate)2 | Fe(C2H2N3)2Fe2+ with trace Fe3+ · 1,2,3-triazolate | 3D · Pristinecubic structure with three-dimensional pore networks | 4451 · Experimental results · Fig. 1 |
| Mg2(DOBDC)(DMF)2Browse family: Mg₂(DOBDC) / Mg–MOF-74 / CPO-27-Mg | Mg2(C8H2O6)(C3H7NO)2Mg2+ · DOBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Mg(1,2,3-triazolate)2 | Mg(C2H2N3)2Mg2+ · 1,2,3-triazolate | 3D · Pristinecubic structure with three-dimensional pore networks | 4451 · Experimental results · Fig. 1 |
| Mn2Cl2(BTDD)(DMF)2 | Mn2Cl2(BTDD)(DMF)2Mn2+ chloride chain · BTDD; chloride; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Mn2(DOBDC)(DMF)2Browse family: Mn₂(DOBDC) / Mn–MOF-74 / CPO-27-Mn | Mn2(DOBDC)(DMF)2Mn2+ · DOBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Mn2(DSBDC)(DMF)2Browse family: Mn₂(DSBDC) | Mn2(DSBDC)(DMF)2Mn2+ · DSBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Mn(1,2,3-triazolate)2 | Mn(C2H2N3)2Mn2+ · 1,2,3-triazolate | 3D · Pristinecubic structure with three-dimensional pore networks | 4451 · Experimental results · Fig. 1 |
| Ni2Cl2(BTDD)(DMF)2 | Ni2Cl2(C12H4N6O2)(C3H7NO)2(CH2Cl2)Ni2+ chloride chain · BTDD; chloride; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Ni2(DOBDC)(DMF)2Browse family: Ni₂(DOBDC) / Ni–MOF-74 / CPO-27-Ni | Ni2(C8H2O6)(C3H7NO)2Ni2+ · DOBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Zn2(DOBDC)(DMF)2Browse family: Zn₂(DOBDC) / Zn–MOF-74 / CPO-27-Zn | Zn2(C8H2O6)(C3H7NO)2Zn2+ · DOBDC; DMF-coordinated | 3D · Pristinehoneycomb structure with 1D tubular pores | 4451 · Experimental results · Fig. 1 |
| Zn(1,2,3-triazolate)2 | Zn(C2H2N3)2Zn2+ · 1,2,3-triazolate | 3D · Pristinecubic structure with three-dimensional pore networks | 4451 · Experimental results · Fig. 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| paper-level set of all MOF powders and pressed pelletsresearch_0221__mat__mat_mg_dobdc | Powder · Paper Level Unspecified · Unknown | desolvated powders and pressed pellets used for PXRD/IR comparisonglass slide for PXRD; diamond ATR for IR | S15-S17 · Figures S3-S5 · Fig. S3; Fig. S4; Fig. S5 |
| pressed pellet of Cd(1,2,3-triazolate)2research_0221__mat__mat_cd_triaz | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Co2Cl2(BTDD)(DMF)2research_0221__mat__mat_co_btdd | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Co2(DOBDC)(DMF)2research_0221__mat__mat_co_dobdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Co(1,2,3-triazolate)2research_0221__mat__mat_co_triaz | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Cu2(DOBDC)(DMF)2research_0221__mat__mat_cu_dobdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Cu(1,2,3-triazolate)2research_0221__mat__mat_cu_triaz | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Fe2Cl2(BTDD)(DMF)2research_0221__mat__mat_fe_btdd | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Fe2(DOBDC)(DMF)2research_0221__mat__mat_fe_dobdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Fe2(DSBDC)(DMF)2research_0221__mat__mat_fe_dsbdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Fe(1,2,3-triazolate)2research_0221__mat__mat_fe_triaz | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Mg2(DOBDC)(DMF)2research_0221__mat__mat_mg_dobdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Mg(1,2,3-triazolate)2research_0221__mat__mat_mg_triaz | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Mn2Cl2(BTDD)(DMF)2research_0221__mat__mat_mn_btdd | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Mn2(DOBDC)(DMF)2research_0221__mat__mat_mn_dobdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Mn2(DSBDC)(DMF)2research_0221__mat__mat_mn_dsbdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Mn(1,2,3-triazolate)2research_0221__mat__mat_mn_triaz | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Ni2Cl2(BTDD)(DMF)2research_0221__mat__mat_ni_btdd | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Ni2(DOBDC)(DMF)2research_0221__mat__mat_ni_dobdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Zn2(DOBDC)(DMF)2research_0221__mat__mat_zn_dobdc | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |
| pressed pellet of Zn(1,2,3-triazolate)2research_0221__mat__mat_zn_triaz | Pellet · Target Sample · Pristine Framework | activated at 100 deg C under vacuum for 2 h, stored in N2 glovebox, then pressed in situnone; pressed powder pellet contacted by two-contact probe rods or screws · 200 um to 1 mm for room-temperature pellets; variable-temperature pellet geometry normalised to room-temperature conductivity | S2 · Room-temperature electrical conductivity measurements |