Sun L., Hendon C.H., Minier M.A. et al. · Journal of the American Chemical Society · 2015 · 6164-6167
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.
The Fe frameworks in this study have the highest conductivity reported within the MOF-74 family at the time of the paper.
Caveat: Statement is literature-relative to the publication date and not independently updated here.
6166 · main text · Table 1 · Linked to 2 structured results
Fe2(DSBDC)(DMF)2 undergoes a reversible guest-removal-induced distortion/breathing transition that can be recovered by soaking in DMF or ethanol or by air exposure.
Caveat: Distorted structure assigned by PXRD simulation and DFT optimisation rather than direct single-crystal refinement of guest-free phase.
S23 · Breathing behavior and PXRD pattern simulation · Figures S6-S7 · Linked to 6 structured results
Replacing Mn2+ with Fe2+ gives roughly six orders of magnitude higher bulk electrical conductivity in both sulfur- and oxygen-bridged MOF-74 analogues.
Caveat: Transport measured on pressed pellets rather than single crystals; authors note possible defects/grain boundaries after activation.
6165 · main text · Table 1 · Linked to 8 structured results
In Fe2(DSBDC), sulfur contributes to the valence band and may lower the hopping barrier through Fe-S chain transport, helping explain higher conductivity than Fe2(DOBDC).
Caveat: The paper also states the metal substitution effect is more pronounced than changing O to S.
6167 · main text · Figure 3 · Linked to 4 structured results
The additional beta-spin d electron of high-spin Fe2+ is proposed to play the dominant role in enhancing charge conduction relative to Mn2+ analogues.
Caveat: Mechanistic interpretation combines pellet transport and DFT electronic structure.
6166 · main text · Figure 3 · Linked to 6 structured results
Charge conduction is anticipated to occur primarily through hopping rather than through delocalised bands.
Caveat: Based on calculated flat bands and orbital contributions rather than direct mobility mechanism measurement.
6167 · main text · Figure 3 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Fe2(DOBDC)Browse family: Fe₂(DOBDC) / Fe–MOF-74 / CPO-27-Fe | Fe2(DOBDC)(DMF)2.x(DMF) and Fe2(DOBDC)(DMF)2 sample statesFe2+ chains, (-Fe-O-)inf secondary building units · DOBDC4- = 2,5-dihydroxybenzene-1,4-dicarboxylate | 3D · PristineMOF-74 analogue, structurally analogous to Mn2(DOBDC). | 6166 · main text · Figure 3 |
| Fe2(DSBDC)Browse family: Fe₂(DSBDC) | Fe2(DSBDC)(DMF)2.x(DMF) and Fe2(DSBDC)(DMF)2 sample statesFe2+ chains, (-Fe-S-)inf secondary building units · DSBDC4- = 2,5-disulfhydrylbenzene-1,4-dicarboxylate | 3D · PristineMOF-74 analogue with one-dimensional hexagonal pores; guest-free phase is distorted relative to the DMF-loaded phase. | 6164 · main text · Figure 1 |
| Mn2(DOBDC)Browse family: Mn₂(DOBDC) / Mn–MOF-74 / CPO-27-Mn | Mn2(DOBDC)(DMF)2.x(DMF) and Mn2(DOBDC)(DMF)2 sample statesMn2+ chains, (-Mn-O-)inf secondary building units · DOBDC4- = 2,5-dihydroxybenzene-1,4-dicarboxylate | 3D · PristineMOF-74 analogue used as the Mn/O comparator. | S9 · Mn2(DOBDC)(DMF)2 |
| Mn2(DSBDC)Browse family: Mn₂(DSBDC) | Mn2(DSBDC)(DMF)2.x(DMF) and Mn2(DSBDC)(DMF)2 sample statesMn2+ chains, (-Mn-S-)inf secondary building units · DSBDC4- = 2,5-disulfhydrylbenzene-1,4-dicarboxylate | 3D · PristineMOF-74 analogue; topologically related to Fe2(DSBDC) but with two distinct Mn sites in the asymmetric unit. | 6164 · main text · Figure 1a |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| DFT model Fe2(DOBDC)(DMF)2research_0063__mat__mat_fe_dobdc | Model · Model System · Model | Periodic DFT model of guest-free framework | S30 · Computational Details |
| DFT model Fe2(DSBDC)(DMF)2research_0063__mat__mat_fe_dsbdc | Model · Model System · Model | Periodic DFT model of guest-free framework | S31 · References and Notes · note 13 |
| DFT model Mn2(DOBDC)(DMF)2research_0063__mat__mat_mn_dobdc | Model · Model System · Model | Periodic DFT model of guest-free framework | S30 · Computational Details |
| DFT model Mn2(DSBDC)(DMF)2research_0063__mat__mat_mn_dsbdc | Model · Model System · Model | Periodic DFT model of guest-free framework | S30 · Computational Details |
| Fe2(DOBDC)(DMF)2research_0063__mat__mat_fe_dobdc | Pellet · Pristine Control · Pristine Framework | DCM-soaked and vacuum dried guest-free framework; pelletised for transport50-500 um for room-temperature pellets; variable-temperature channel 0.05-1 mm thick | S8-S9 · Fe2(DOBDC)(DMF)2 |
| Fe2(DOBDC)(DMF)2.x(DMF)research_0063__mat__mat_fe_dobdc | Pellet · Pristine Control · Guest Loaded | DMF-soaked/dried powder pressed into pellet50-500 um pellet thickness for room-temperature conductivity measurements | S8 · Fe2(DOBDC)(DMF)2 |
| Fe2(DSBDC)(DMF)2research_0063__mat__mat_fe_dsbdc | Pellet · Target Sample · Pristine Framework | DCM-soaked and vacuum dried guest-free framework; pelletised for transport50-500 um for room-temperature pellets; variable-temperature channel 0.05-1 mm thick | S8 · Fe2(DSBDC)(DMF)2 |
| Fe2(DSBDC)(DMF)2.x(DMF)research_0063__mat__mat_fe_dsbdc | Pellet · Target Sample · Guest Loaded | DMF-soaked/dried powder pressed into pellet; as-synthesized guest-loaded state50-500 um pellet thickness for room-temperature conductivity measurements | S7 · Fe2(DSBDC)(DMF)2.x(DMF) |
| Mn2(DOBDC)(DMF)2research_0063__mat__mat_mn_dobdc | Pellet · Pristine Control · Pristine Framework | DCM-soaked and vacuum dried guest-free framework; pelletised for transport50-500 um for room-temperature pellets; variable-temperature channel 0.05-1 mm thick | S9 · Mn2(DOBDC)(DMF)2 |
| Mn2(DOBDC)(DMF)2.x(DMF)research_0063__mat__mat_mn_dobdc | Pellet · Pristine Control · Guest Loaded | DMF-soaked/dried powder pressed into pellet50-500 um pellet thickness for room-temperature conductivity measurements | S9 · Mn2(DOBDC)(DMF)2 |
| Mn2(DSBDC)(DMF)2research_0063__mat__mat_mn_dsbdc | Pellet · Pristine Control · Pristine Framework | DCM-soaked and vacuum dried guest-free framework; pelletised for transport50-500 um for room-temperature pellets; variable-temperature channel 0.05-1 mm thick | S8 · Mn2(DSBDC)(DMF)2 |
| Mn2(DSBDC)(DMF)2.x(DMF)research_0063__mat__mat_mn_dsbdc | Pellet · Pristine Control · Guest Loaded | DMF-soaked/dried powder pressed into pellet50-500 um pellet thickness for room-temperature conductivity measurements | S8 · Mn2(DSBDC)(DMF)2 |