Park S.S., Hontz E.R., Sun L. et al. · Journal of the American Chemical Society · 2015 · 1774-1777
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 Mn, Co and Cd analogues are permanently microporous after desolvation, with N2 uptake and BET areas comparable to Zn2(TTFTB).
Caveat: BET surface-area unit preserved as printed; no raw isotherm table is supplied.
p002 / article p.1775 · Results · Figure S4 · Linked to 7 structured results
Increasing metal-cation radius lengthens the metal-carboxylate chains and pinches the TTF stack, decreasing the shortest inter-TTF S...S distance.
Caveat: Based on isostructural series and crystallographic distances; Co and Zn radii are very similar but S...S distances differ slightly.
p003-p004 / article pp.1776-1777 · Results and conclusion · Table 1 · Linked to 8 structured results
M2(TTFTB) conductivity is anisotropic and largest along the TTF column direction.
Caveat: Perpendicular value is reported only for Zn2(TTFTB), not all four analogues.
p003 / article p.1776 · Results · Figure S9 · Linked to 2 structured results
Shorter S...S contacts correlate with higher intrinsic single-crystal conductivity along the TTF-column direction, with Cd2(TTFTB) giving the highest average conductivity.
Caveat: Authors note small carrier-density variations may not be fully apparent from bond distances.
p003 / article p.1776 · Results · Figure 4 · Linked to 8 structured results
DFT indicates the valence band is defined by sulfur and central carbon p orbitals on TTF, supporting a through-space charge-transport pathway governed by orbital overlap in the pi-stacked columns.
Caveat: DFT evidence is qualitative for orbital pathway; conductivity is experimentally measured.
p002 / article p.1775 · Results · Figure 1 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Cd2(TTFTB)Browse family: Cd₂(TTFTB) | [Cd2(C34H16O8S4)(mu2-OH2)(H2O)]·(DMF)1.5(H2O)2; activated formula C34H19Cd2O9.5S4Helical cadmium-oxygen chains; alternating seven- and six-coordinate Cd ions with a bridging water ligand · TTFTB4- = tetrathiafulvalene tetrabenzoate, from H4TTFTB | 3D · PristineIsostructural M2(TTFTB) framework with pi-stacked TTF columns; Cd analogue has alternating seven- and six-coordinate metal ions. | p002 / article p.1775 · Results · Figure 2 |
| Co2(TTFTB)Browse family: Co₂(TTFTB) | [Co2(C34H16O8S4)(H2O)2]·(DMF)1.75(H2O)2; activated formula C34H16Co2O8S4Helical chains of corner-sharing cobalt-oxygen pseudo-octahedra · TTFTB4- = tetrathiafulvalene tetrabenzoate, from H4TTFTB | 3D · PristineIsostructural M2(TTFTB) MOF with helical metal-oxygen chains and pi-stacked TTF columns; main text states P65, SI Table S2 lists P61. | p002 / article p.1775 · Results · Figure 2 and Table S2 |
| Mn2(TTFTB)Browse family: Mn₂(TTFTB) | [Mn2(C34H16O8S4)(H2O)2]·(DMF)0.7(H2O)1.75; activated formula C34H16Mn2O8S4Helical chains of corner-sharing manganese-oxygen pseudo-octahedra · TTFTB4- = tetrathiafulvalene tetrabenzoate, from H4TTFTB | 3D · PristineIsostructural M2(TTFTB) MOF with helical metal-oxygen chains, benzoate-connected TTFTB ligands, and infinite pi-stacked TTF columns; main text reports P65. | p002 / article p.1775 · Results · Figure 2 |
| Zn2(TTFTB)Browse family: Zn₂(TTFTB) | Zn2(TTFTB) / Zn2(C34H16O8S4) frameworkInfinite zinc benzoate chains with zinc coordination sphere · TTFTB4- = tetrathiafulvalene tetrabenzoate, from H4TTFTB | 3D · PristinePreviously reported chiral pi-stack with 65 symmetry; TTF ligands connected to infinite zinc benzoate chains and used as the isostructural reference. | p002 / article p.1775 · Results · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| desolvated Cd2(TTFTB)research_0353__mat__cd2_ttftb | Powder · Target Sample · Pristine Framework | Crystals evacuated at 220 C for 24 h at 4 mtorr; used for elemental analysis and N2 sorption after outgassing. | p003 / SI p.S3 · Synthesis of Cd2(TTFTB) |
| periodic DFT model of Cd2(TTFTB)research_0353__mat__cd2_ttftb | Model · Model System · Model | Periodic VASP model for Cd analogue; SI Figure S1 reports calculated band structure and PDOS. | p006 / SI p.S6 · Figure S1 |
| Cd2(TTFTB) dark red needle single crystalsresearch_0353__mat__cd2_ttftb | Single Crystal · Target Sample · Pristine Framework | As-synthesised dark red needle single crystals; used for single-crystal conductivity and SCXRD. | p003 / SI p.S3 · Synthesis of Cd2(TTFTB) |
| desolvated Co2(TTFTB)research_0353__mat__co2_ttftb | Powder · Target Sample · Pristine Framework | Crystals evacuated at 200 C for 12 h at 4 mtorr; used for elemental analysis and N2 sorption after outgassing. | p003 / SI p.S3 · Synthesis of Co2(TTFTB) |
| Co2(TTFTB) dark red single crystalsresearch_0353__mat__co2_ttftb | Single Crystal · Target Sample · Pristine Framework | As-synthesised dark red single crystals; used for single-crystal conductivity and SCXRD. | p003 / SI p.S3 · Synthesis of Co2(TTFTB) |
| desolvated Mn2(TTFTB)research_0353__mat__mn2_ttftb | Powder · Target Sample · Pristine Framework | Crystals evacuated at 200 C for 12 h at 4 mtorr; used for elemental analysis and N2 sorption after outgassing. | p003 / SI p.S3 · Synthesis of Mn2(TTFTB) |
| Mn2(TTFTB) dark red single crystalsresearch_0353__mat__mn2_ttftb | Single Crystal · Target Sample · Pristine Framework | As-synthesised dark red single crystals; used for single-crystal conductivity and SCXRD. | p003 / SI p.S3 · Synthesis of Mn2(TTFTB) |
| desolvated Zn2(TTFTB) reference sampleresearch_0353__mat__zn2_ttftb | Powder · Target Sample · Pristine Framework | Previously reported/desolvated Zn reference used for comparison of PXRD and surface area; recipe not reproduced here. | p002 / article p.1775 · Results |
| periodic DFT model of Zn2(TTFTB)research_0353__mat__zn2_ttftb | Model · Model System · Model | Periodic VASP model based on experimentally determined unit cell and relaxed with PBEsol/HSE06 workflow. | p002 / article p.1775 · Results |
| Zn2(TTFTB) single crystalsresearch_0353__mat__zn2_ttftb | Single Crystal · Target Sample · Pristine Framework | Previously reported Zn analogue; crystals commonly shorter than 300 um in this study and used for carbon-paste-probe conductivity. | p004 / SI p.S4 · Single crystal conductivity measurements |