Bairy G., Das P., Dutta B. et al. · Inorganic Chemistry · 2023 · 12773-12782
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 selectively detects TNP among tested nitroaromatics with high fluorescence quenching and sub-micromolar LOD.
Caveat: Sensing data are in acetonitrile suspension; application paper-strip evidence is qualitative.
p005 / journal page 12777 · Sensing Property toward NAEs · Figures 3-4 · Linked to 3 structured results
No first-hand gas sorption, BET surface area, pore-size distribution, or other porosity measurement is reported for compound 1.
Caveat: The introduction mentions porous MOFs generally, but this paper reports no porosity data for 1.
p001-p010 · Full article and SI review
Compound 1 is phase-pure by PXRD and retains its diffraction pattern after pH treatment, TNP exposure, and mild heating.
Caveat: PXRD evidence is qualitative in the paper; no phase-fraction refinement is reported.
p004 / journal page 12776 · PXRD and TGA Experiment · Figure S10 · Linked to 3 structured results
The authors propose that 1D chain self-assembly, flexible linkers, and polyaromatic N-donor ligands enable through-space charge transport and improved charge mobility.
Caveat: Direct mobility or anisotropic transport measurements were not reported.
p006 / journal page 12778 · Electrical Characterization · Linked to 3 structured results
TNP quenching is attributed to combined static/dynamic quenching with FRET and PET contributions.
Caveat: Mechanistic assignment is interpretive; lifetime changes are small.
p005 / journal page 12777 · Sensing Property toward NAEs · Figures 4-5, S17, S19 · Linked to 7 structured results
H2pbiq is air-oxidised in situ to pbiq during Cd(II) coordination-polymer formation.
Caveat: The paper infers aerial oxidation from product structure and reports a separate SI air-oxidation route to pbiq.
p003 / journal page 12775 · Structure of compound 1 · Scheme S2
The Al/compound 1/ITO device behaves as a Schottky diode and compound 1 is a semiconducting CP with conductivity 1.10 x 10-5 S m-1.
Caveat: Conductivity is derived from a thin-film device; film spin-coating concentration and morphology are not fully reported.
p006 / journal page 12778 · Electrical Characterization · Figures 7-8; Table 1 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| [Cd(glu)2(pbiq)2(H2O)]n (1) | [Cd(glu)2(pbiq)2(H2O)]n; empirical formula C43H32CdN8O5Cd(II), distorted pentagonal bipyramidal CdO5N2 coordination sphere · glutarate (glu2-) bridge; pbiq = 4-(6-(pyridin-4-yl)benzo[4,5]imidazo[1,2-c]quinazoline), monodentate N-donor | 1D · PristineTriclinic P-1, Z = 2; 1D fishbone-like coordination polymer assembled into a 3D supramolecular aggregate through pi-pi and H-bonding interactions. | p001 / journal page 12773 · Abstract |
| DFT model of compound 1 | Model from single-crystal coordinates of [Cd(glu)2(pbiq)2(H2O)]nCd(II) · pbiq and glutarate | 1D · Model SystemGeometry optimised using DFT-B3LYP from single-crystal coordinate parameters. | p003 / journal page 12775 · Theoretical Calculations |
| 6-(pyridin-4-yl)-5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazoline (H2pbiq) | C19H14N4 inferred from HRMS [M + H]+ formula C19H15N4Pyridyl-dihydrobenzoimidazoquinazoline ligand precursor | 0D · UnknownMolecular precursor; oxidised to pbiq during compound 1 formation. | p003 / journal page 12775 · Synthesis of Ligand (H2pbiq) · Scheme S1 |
| 6-(pyridin-4-yl)benzo[4,5]imidazo[1,2-c]quinazoline (pbiq) | C19H12N4 inferred from HRMS [M + H]+ formula C19H13N4Oxidised pyridyl-benzoimidazoquinazoline N-donor ligand | 0D · UnknownMolecular ligand; coordinates monodentately in compound 1. | p005 / SI page 5 · Synthesis of pbiq · Scheme S3 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Compound 1 suspension in acetonitrileresearch_0215__mat__cd_glu_pbiq_cp_1 | Unknown · Target Sample · Pristine Framework | Acetonitrile-dispersed compound 1; 10 uM for TNP sensing titration. | p005 / journal page 12777 · Sensing Property toward NAEs · Figure 4 |
| Al/compound 1/ITO thin-film metal-semiconductor deviceresearch_0215__mat__cd_glu_pbiq_cp_1 | Thin Film · Target Sample · Pristine Framework | Spin-coated compound 1 film on cleaned ITO, aluminium deposited by electron-beam vacuum coating.ITO-coated glass; aluminium top contact · 1 micrometre | p020 / SI page 20 · Device Fabrication |
| As-synthesised bulk compound 1research_0215__mat__cd_glu_pbiq_cp_1 | Powder · Target Sample · Pristine Framework | As-synthesised bulk crystalline material used for PXRD, TGA, IR, UV-vis and CV. | p004 / journal page 12776 · PXRD and TGA Experiment · Figure S10 |
| Computational model of compound 1research_0215__mat__cp1_dft_model_material | Model · Model System · Model | DFT/TDDFT optimised model based on single-crystal coordinates. | p003 / journal page 12775 · Theoretical Calculations |
| Cd-CP-coated dry paper stripresearch_0215__mat__cd_glu_pbiq_cp_1 | Unknown · Target Sample · Composite | Dry paper strip coated with Cd-CP, exposed to TNP solution, washed with acetonitrile and dried under air for reuse.paper strip | p005 / journal page 12777 · Sensing Property toward NAEs · Figure S20 |
| Block-like yellow crystals of compound 1research_0215__mat__cd_glu_pbiq_cp_1 | Single Crystal · Target Sample · Pristine Framework | As-synthesised crystals from layered diffusion, removed from mother liquor for SC-XRD. | p003 / journal page 12775 · Synthesis of [Cd(glu)2(pbiq)2(H2O)]n (1) |
| Isolated H2pbiq ligand precursorresearch_0215__mat__h2pbiq_precursor | Powder · Unknown · Unknown | Column-purified ligand precursor characterised by HRMS, NMR, and IR. | p003 / journal page 12775 · Synthesis of Ligand (H2pbiq) · Scheme S1 |
| Isolated pbiq ligandresearch_0215__mat__pbiq_ligand | Powder · Unknown · Unknown | Oxidised ligand isolated by precipitation and column chromatography. | p005 / SI page 5 · Synthesis of pbiq · Scheme S3 |