Hossain E., Sk R., Layek A. et al. · Polyhedron · 2026 · 117844
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.
CP1 exhibits electrical conductivity in the semiconducting regime and behaves as a Schottky barrier diode.
Caveat: Transport was measured on spin-coated films; no pristine single-crystal conductivity measurement was reported.
1 · Abstract · Linked to 4 structured results
The CP1 CIF has no level-A checkCIF alerts, but level-B/C/G alerts and solvent/disorder notes should be retained as crystallographic caveats.
Caveat: checkCIF report is guidance and does not replace crystallographic review; several donor-H and disorder-related warnings are present.
2-3 · checkCIF/PLATON report · Linked to 4 structured results
The bulk CP1 phase purity was validated by matching as-synthesised PXRD against a simulated pattern from SCXRD data.
Caveat: The SI shows the PXRD comparison plot, but no peak list or Rietveld/refinement statistics were reported.
3 · 3.2. PXRD and FESEM studies · Fig. S4 · Linked to 3 structured results
The DFT HOMO-LUMO gap and optical Tauc band gap support semiconducting behaviour of CP1.
Caveat: DFT was performed on a molecular model; electronic band dispersion for the extended solid was not reported.
5 · 3.4. DFT HOMO-LUMO energy gap analysis · Fig. 6; Fig. S6 · Linked to 2 structured results
Charge transport may occur through a hopping mechanism and shows low-bias Ohmic and high-bias SCLC regimes.
Caveat: The Ohmic/SCLC transition point was only visually indicated in Fig. 5; no fit statistics are reported.
5 · 3.3. Electrical characterization · Fig. 5 · Linked to 3 structured results
The authors attribute CP1 charge transport to through-space pathways mediated by supramolecular pi-pi stacking interactions.
Caveat: Mechanistic assignment is inferred from structure-property correlation and I-V analysis, not from direct microscopic charge-transport measurements.
5 · 4. Conclusion · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| CP1 | [Cd2(9-aca)4(pdb)2(H2O)4].(H2O)5; sum formula C84H74Cd2N8O17Cd(II) centres with distorted octahedral CdO4N2 coordination · 9-anthracenecarboxylate (9-aca) and N,N'-bis(1-pyridine-4-yl-ethylidene) (pdb) | 1D · PristineOrthorhombic Pna21 one-dimensional coordination polymer; Cd(II) centres are bridged by bidentate pdb linkers and 1D chains assemble through hydrogen bonding and pi-pi interactions. | 1 · Abstract |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| as-synthesised bulk CP1research_0698__mat__mat_cp1 | Powder · Target Sample · Pristine Framework | As-synthesised CP1 bulk material used for PXRD, FESEM, IR and optical measurements. | 3 · 3.2. PXRD and FESEM studies · Fig. S4; Fig. S5 |
| CP1 light-yellow block crystalsresearch_0698__mat__mat_cp1 | Single Crystal · Target Sample · Pristine Framework | Layer-grown light-yellow block-shaped crystals isolated after a few days. | 2 · 2.2. Synthesis of CP1 |
| CP1 DFT molecular modelresearch_0698__mat__mat_cp1 | Model · Model System · Model | Geometry-optimised molecular model treated with DFT. | 3 · 2.5. DFT computation |
| ITO/CP1/Al Schottky dioderesearch_0698__mat__mat_cp1 | Thin Film · Target Sample · Pristine Framework | CP1 dispersed in DMF, spin-coated twice on cleaned ITO at 1000 rpm for 3 min, vacuum dried, and coated with Al under 10^-6 Torr.ITO-coated glass with Al top electrode · approximately 1 um | 2-3 · 2.4. Device fabrication and characterization · Scheme 1 |