Chandra A., Das M., Pal K. et al. · ACS Omega · 2019 · 17649-17661
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.
Compound 1 shows antibacterial and anticancer activity, attributed to intracellular ROS generation.
Caveat: Biological activity is outside the conductive-MOF transport evidence focus and is included as contextual application data.
17656-17657 · Results and Discussion, Biological Study; Conclusions · Figures 13-15 · Linked to 3 structured results
The compound 1 device has better photodetector potential than the ppmh ligand device, with larger photosensitivity, responsivity, detectivity and on/off ratios and lower series resistance.
Caveat: Results are from one device architecture; no device-to-device statistical spread is reported for transport parameters.
17652-17654 · Results and Discussion, I-V Measurement and Analysis · Table 1 · Linked to 10 structured results
Compound 1 is a crystalline Zn(II)-carboxylate coordination polymer whose 2D coordination structure is assembled into a 3D supramolecular framework through C-H...pi and pi...pi interactions.
Caveat: The formula is reported inconsistently between the synthesis section and Table 2.
17649-17651 · Abstract; Results and Discussion, Structural Descriptions · Figures 2-4 · Linked to 2 structured results
The lower optical band gap and higher light absorption of compound 1 relative to ppmh are used to explain the higher photoconductivity of the compound 1 Schottky diode.
Caveat: The mechanistic explanation is qualitative; no carrier mobility or time-resolved transport value is reported.
17652 · Results and Discussion, I-V Measurement and Analysis · Figures 5-8 · Linked to 5 structured results
DFT-calculated HOMO-LUMO gaps are smaller for compound 1 than for ppmh and H2bdc, supporting the interpretation that compound 1 is more conductive than its component ligands.
Caveat: DFT model is molecular/coordination-unit based and qualitative for bulk/device transport.
17654 · Results and Discussion, DFT Computation and the Band Gap · Figure 11 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| compound 1; [Zn4(bdc)4(ppmh)2(H2O)]n | [Zn4(bdc)4(ppmh)2(H2O)]n; elemental formula reported as C54H36N8O19Zn4 in synthesis section and C54H36N10O17Zn4 in Table 2Zn(II); four Zn centres in the asymmetric unit, assigned Zn01, Zn02, Zn03 and Zn04 · 1,4-benzenedicarboxylate (bdc2-) and N-pyridin-2-yl-N'-pyridin-4-ylmethylene-hydrazine (ppmh) | 3D · PristineMonoclinic P21 coordination polymer: bdc propagates 1D chains, the coordination framework forms a 2D network, and noncovalent C-H...pi and pi...pi contacts generate a 3D supramolecular assembly. | 17650-17651 · Results and Discussion, Structural Descriptions · Figures 2-4; Table 2 |
| 1,4-benzene dicarboxylic acid (H2bdc) | H2bdcnone · 1,4-benzene dicarboxylic acid ligand | 0D · Model SystemFree organic linker used as precursor, biological control and DFT model system. | 17649 · Abstract |
| N-pyridin-2-yl-N'-pyridin-4-ylmethylene-hydrazine (ppmh) | C11H10N4none · pyridylhydrazone ligand | 0D · Model SystemMolecular ligand control; monoclinic P21/n, Z = 8. | 17650 · Results and Discussion, Structural Descriptions · Figure 1; Table 2 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| as-synthesised brown crystals of compound 1research_0204__mat__compound_1 | Single Crystal · Target Sample · Pristine Framework | Brown crystals obtained after 3 weeks by layering; powdered/grinded portions used for PXRD and thermal analysis. | 17657 · Experimental Section, Synthesis of Compound |
| compound 1 thin-film Schottky dioderesearch_0204__mat__compound_1 | Thin Film · Target Sample · Pristine Framework | Compound 1 in DMF ultrasonicated, spin-coated at 600 rpm for 1 min, repeated four times, dried under vacuum; Al electrode evaporated at 10^-6 Torr.ITO-coated glass with Al top electrode · 1 um | 17658 · Experimental Section, Schottky Device and I-V Measurements |
| DFT model of compound 1research_0204__mat__compound_1 | Model · Model System · Model | SCXRD-coordinate-based DFT/TDDFT model. | 17658 · Experimental Section, Computational Method |
| DFT model of H2bdcresearch_0204__mat__h2bdc | Model · Model System · Model | DFT model of free carboxylate precursor. | 17658 · Experimental Section, Computational Method |
| ppmh yellow rod-shaped crystalsresearch_0204__mat__ppmh | Single Crystal · Pristine Control · Model | Yellow rod-shaped crystals from reflux synthesis and MeOH recrystallisation. | 17657 · Experimental Section, Synthesis of Compound |
| ppmh ligand thin-film Schottky dioderesearch_0204__mat__ppmh | Thin Film · Pristine Control · Model | Ligand-based Schottky barrier diode; detailed fabrication wording is given for Schottky devices and compound 1, while Figure 7/Table 1 report ppmh device results.ITO-coated glass with Al top electrode | 17652-17653 · Results and Discussion, I-V Measurement and Analysis · Figure 7; Table 1 |
| DFT model of ppmhresearch_0204__mat__ppmh | Model · Model System · Model | DFT/TDDFT model of free ligand. | 17658 · Experimental Section, Computational Method |