Bhunia S., Sahoo D., Dutta B. et al. · Inorganic Chemistry · 2023 · 20948-20960
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.
PXRD patterns of as-synthesised 1-3 match simulated patterns, supporting phase purity of the reported crystalline compounds.
Caveat: PXRD match is reported qualitatively; no Rietveld refinement values are reported.
20949 · Synthesis and Formulation · Figure S4 · Linked to 3 structured results
The higher conductivity of 3 is attributed to the more conjugated naphthalene dicarboxylate linker, shorter pi-pi stacking and lower band gap.
Caveat: The structure-property explanation is authors' interpretation; direct causal isolation of linker effects is not shown.
20957 · Result and Discussion · Scheme 1 · Linked to 7 structured results
DFT HOMO-LUMO gaps broadly follow the experimental band-gap ordering and are used to support fabrication of semiconducting devices from these CPs.
Caveat: DFT used monomeric motifs while experiments probe polymeric materials.
20952 · Electrical Characterization · Figure S12 · Linked to 6 structured results
Light irradiation enhances the conductivity of all three Schottky devices, with compound 3 showing the largest light-response.
Caveat: Conductivity is measured in fabricated ITO/CP/Al thin-film devices, not isolated single crystals.
20948 · Abstract · Linked to 7 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| [Cd(tppz)(2,6-ndc)] (3) | C74H47Cd2N12O9Cd(II), CdN3O4 coordination sphere · 2,3,5,6-tetrakis(2-pyridyl)pyrazine (tppz); 2,6-naphthalene dicarboxylate (2,6-ndc2-) | 2D · PristineTriclinic P-1, Z = 1; naphthalene-dicarboxylate analogue with shortest pi-pi stacking. | 20948 · Abstract |
| [Cd(tppz)(adc)(MeOH)] (1) | C17H11CdN3O5Cd(II), CdN3O4 distorted pentagonal-bipyramidal coordination sphere · 2,3,5,6-tetrakis(2-pyridyl)pyrazine (tppz); acetylene dicarboxylate (adc2-); coordinated methanol | 2D · PristineTriclinic P-1, Z = 2; 2D network, weak pi-pi supramolecular extension to 3D. | 20948 · Abstract |
| [Cd(tppz)(trep)] (2) | C20H12CdN3O4Cd(II), CdN3O4 coordination sphere · 2,3,5,6-tetrakis(2-pyridyl)pyrazine (tppz); terephthalate (trep2-) | 2D · PristineOrthorhombic Ccca, Z = 8; 2D network with stronger pi-pi contacts than 1. | 20948 · Abstract |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| As-synthesised crystals/powder of 1research_0764__mat__cd_tppz_adc_meoh_1 | Powder · Target Sample · Pristine Framework | Colourless block crystals, used as as-synthesised crystalline powder for conductivity-related measurements. | 20949 · Synthesis and Formulation |
| ITO/1/Al Schottky thin-film deviceresearch_0764__mat__cd_tppz_adc_meoh_1 | Thin Film · Target Sample · Pristine Framework | DMSO dispersion spin-coated on ITO at 1000 rpm for 60 s, dried, Al thermally evaporated.ITO coated glass with Al top contact · 5 um | 20949 · Device Fabrication |
| Molecular model of 1 for DFTresearch_0764__mat__cd_tppz_adc_meoh_1 | Model · Model System · Model | Crystallographic molecular motif, not polymeric periodic model. | 20952 · Electrical Characterization |
| As-synthesised crystals/powder of 2research_0764__mat__cd_tppz_trep_2 | Powder · Target Sample · Pristine Framework | Colourless crystals, used as as-synthesised crystalline powder for conductivity-related measurements. | 20949 · Synthesis and Formulation |
| ITO/2/Al Schottky thin-film deviceresearch_0764__mat__cd_tppz_trep_2 | Thin Film · Target Sample · Pristine Framework | DMSO dispersion spin-coated on ITO at 1000 rpm for 60 s, dried, Al thermally evaporated.ITO coated glass with Al top contact · 5 um | 20949 · Device Fabrication |
| Molecular model of 2 for DFTresearch_0764__mat__cd_tppz_trep_2 | Model · Model System · Model | Crystallographic molecular motif, not polymeric periodic model. | S13 · DFT table and MOs · Table S10 |
| As-synthesised crystals/powder of 3research_0764__mat__cd_tppz_26ndc_3 | Powder · Target Sample · Pristine Framework | Colourless crystals, used as as-synthesised crystalline powder for conductivity-related measurements. | 20949 · Synthesis and Formulation |
| ITO/3/Al Schottky thin-film deviceresearch_0764__mat__cd_tppz_26ndc_3 | Thin Film · Target Sample · Pristine Framework | DMSO dispersion spin-coated on ITO at 1000 rpm for 60 s, dried, Al thermally evaporated.ITO coated glass with Al top contact · 5 um | 20949 · Device Fabrication |
| Molecular model of 3 for DFTresearch_0764__mat__cd_tppz_26ndc_3 | Model · Model System · Model | Crystallographic molecular motif, not polymeric periodic model. | S14 · DFT table and MOs · Table S12 |