Wu X., Wu H., Wu S. et al. · Chemical Communications · 2022 · 2702-2705
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.
Elemental analysis for MnCsTHBQ differs from calculated values, which the authors attribute to impurities and hydrolysis of alkali metal ions.
Caveat: This caveat may also be relevant to MnRbTHBQ because found C/H/Mn/Rb values differ from calculated, but the explicit explanation follows the MnCsTHBQ synthesis paragraph.
p. 2 · Experimental section, Synthesis of MnCsTHBQ
The three MOFs have low BET surface areas, attributed by the authors to dense structures.
Caveat: The phrase in the SI caption is grammatically awkward but clearly attributes low surface areas to dense structures.
p. 9 · Supporting figures and tables · Figure S12 · Linked to 3 structured results
Changing the oxidation state of the ligand from THBQ to HHB changes the coordination environment and connection mode, producing a hexagonal layered 3D MnHHB structure rather than the previously reported cubic MnTHBQ structure.
Caveat: The MnTHBQ comparator is cited from prior work and is not extracted here as first-hand evidence.
p. 3 / journal p. 2704 · Results and discussion · Table S3 · Linked to 2 structured results
Introducing Rb+ or Cs+ partly replaces Mn atoms, directly participates in coordination, and modulates the topology of the THBQ-based frameworks.
p. 3 / journal p. 2704 · Results and discussion · Fig. 2C-D · Linked to 6 structured results
MnHHB's higher conductivity is associated with shorter C6-ring distances and effective out-of-plane pi-pi stacking, enabling through-space charge transport.
Caveat: Transport assignment is supported by GGA-level calculations, which the paper notes underestimate band gaps.
p. 3 / journal p. 2704 · Results and discussion · Fig. 3 · Linked to 5 structured results
All three new MOFs show semiconducting transport between 300 and 400 K, with conductivity increasing as temperature rises.
p. 3 / journal p. 2704 · Results and discussion · Fig. 3A · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| MnCsTHBQ | Mn3Cs2C12O18H12Mn and Cs · THBQ / tetrahydroxy-1,4-benzoquinone-derived C6O6 ligand | 3D · PristineHexagonal P6/mmm bimetallic framework; Mn and Cs coordination modes are reported as analogous to MnRbTHBQ, with different disordered water positions. | p. 2 / journal p. 2703 · Results and discussion · Fig. S7; Table S1 |
| MnHHB | Mn5(C6O6)2; SI table formula Mn5C12O12Mn · HHB / hexahydroxybenzene-derived C6O6 ligand | 3D · PristineHexagonal P6/mmm framework with layered 2D kagome [Mn13(C6O6)2]n sheets stacked through Mn2-O linkages; benzene dimers linked by Mn-O bonds. | p. 2 / journal p. 2703 · Results and discussion · Fig. 1; Table S1 |
| MnRbTHBQ | Mn3Rb2C12O18H12Mn and Rb · THBQ / tetrahydroxy-1,4-benzoquinone-derived C6O6 ligand | 3D · PristineHexagonal P6/mmm bimetallic framework; Mn-linked ligand dimers extend in the ab plane and are further linked by Rb-O bonds along c. | p. 2 / journal p. 2703 · Results and discussion · Fig. S6; Table S1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| MnCsTHBQ compressed cuboid pelletresearch_0248__mat__mat_mncsthbq | Pellet · Target Sample · Mixed Metal | About 18 mg powder compressed into a cuboid pellet and contacted with conductive adhesive for four-probe measurements. | p. 3 · Electrical conductivity measurements |
| MnCsTHBQ powderresearch_0248__mat__mat_mncsthbq | Powder · Target Sample · Mixed Metal | Filtered, washed with water and EtOH, dried at 45 deg C under vacuum for about 6 h. | p. 2 · Experimental section, Synthesis of MnCsTHBQ |
| MnHHB VASP modelresearch_0248__mat__mat_mnhhb | Model · Model System · Model | Spin-polarised VASP/GGA-PBE model based on a 1x1x2 supercell. | p. 3 · Theoretical calculations · Fig. 3C-D |
| MnHHB compressed cuboid pelletresearch_0248__mat__mat_mnhhb | Pellet · Target Sample · Pristine Framework | About 18 mg powder compressed into a cuboid pellet, contacted with four probes using conductive adhesive and measured after about 3 h. | p. 3 · Electrical conductivity measurements |
| MnHHB dark-blue powderresearch_0248__mat__mat_mnhhb | Powder · Target Sample · Pristine Framework | Filtered, washed with water and EtOH, dried at 45 deg C under vacuum for 6 h. | p. 1 · Experimental section, Synthesis of MnHHB |
| MnRbTHBQ compressed cuboid pelletresearch_0248__mat__mat_mnrbthbq | Pellet · Target Sample · Mixed Metal | About 18 mg powder compressed into a cuboid pellet and contacted with conductive adhesive for four-probe measurements. | p. 3 · Electrical conductivity measurements |
| MnRbTHBQ powderresearch_0248__mat__mat_mnrbthbq | Powder · Target Sample · Mixed Metal | Filtered, washed with water and EtOH, dried at 45 deg C under vacuum for about 6 h. | p. 1 · Experimental section, Synthesis of MnRbTHBQ |