Naskar K., Dey A., Maity S. et al. · Inorganic Chemistry · 2020 · 5518-5528
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.
The ITO/compound 1/Al Schottky device shows higher conductivity, higher rectification ratio, lower barrier height and lower series resistance under illumination.
Caveat: Transport values are for the fabricated thin-film device stack, not a standalone single-crystal or pellet intrinsic conductivity measurement.
6-8 · Optoelectronic Studies · Figures 6-8; Table 2 · Linked to 8 structured results
The authors used an Al/ITO control to argue that the nonlinear Schottky behaviour and lower current in the compound-1 device are not due to simple electric leakage.
Caveat: The control evidence is qualitative in the SI and no tabulated leakage current values are reported.
S10 · Device Fabrication and Measurements · Figure S8 · Linked to 1 structured result
Single-crystal diffraction assigns compound 1 as a 2D Cd(II) coordination polymer with two square-grid cavity motifs.
Caveat: No gas-sorption porosity measurement is reported; cavity dimensions are crystallographic.
3-4 · Structure · Figure 1; Table 1 · Linked to 3 structured results
Light or NaBH4 cleaves the disulfide bond in compound 1, while air exposure reforms the S-S bond, giving a reversible self-healing response.
Caveat: Self-healing is molecular/structural recombination evidence; no macroscopic mechanical healing metric was reported.
4-5 · Photoreversible Polymerization · Figure 3; Scheme 2; Figures S3, S5, S6 · Linked to 4 structured results
Compound 1 forms through in situ oxidation/dimerisation of 2-MBA thiol groups to the 2,2'-DSB disulfide ligand in air, coordinated with INH around Cd(II).
Caveat: The oxidative role of air is inferred by the authors from product structure and spectroscopy rather than by isolating a kinetic intermediate.
2 and 9 · Synthesis; Conclusions · Scheme 1 · Linked to 4 structured results
The cathodic redox feature of compound 1 at -1.23 V is assigned to reduction of the disulfide moiety.
Caveat: The authors state that it is not initially clear which group is reduced and use fragment controls to support the disulfide assignment.
6 · Electrochemical Studies · Figure 4 · Linked to 3 structured results
SCLC analysis indicates enhanced charge transport under illumination, with increased mobility and diffusion coefficient and reduced transit time.
Caveat: The SCLC parameters are model-derived from device I-V curves.
8-9 · Optoelectronic Studies · Figure 8; Table 3 · Linked to 6 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Al/ITO leakage-control device without compound 1 | Al/ITO | unknown · UnknownNon-MOF metal/electrode control stack used to test whether the ITO/compound 1/Al current was device leakage. | S10 · Device Fabrication and Measurements · Figure S8 |
| [Cd2(2,2'-DSB)2(INH)2(H2O)2]n, compound 1 | [Cd2(2,2'-DSB)2(INH)2(H2O)2]n; crystallographic formula C40H30Cd2N6O12S4Cd(II) centres with CdN2O5 coordination spheres; two dissimilar distorted pentagonal-bipyramidal Cd sites. · In situ generated 2,2'-disulfanediyldibenzoate (2,2'-DSB2-) from 2-mercaptobenzoic acid, plus isoniazid/isonicotinohydrazide (INH). | 2D · PristineTriclinic P-1 Cd(II) coordination polymer; alternating Cd nodes form 1D polymeric sheets with two asymmetric biporous square-grid cavity motifs, further aggregated into a 3D supramolecular array by hydrogen bonding and pi-pi stacking. | 1-3 · Abstract; Results and Discussion - Structure · Figure 1; Table 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| ITO/Al structured leakage-control deviceresearch_0607__mat__al_ito_control_stack | Electrode · Pristine Control · Composite | Control device with no coordination polymer between ITO and aluminium.ITO-coated glass with aluminium contact | S10 · Device Fabrication and Measurements · Figure S8 |
| Bulk/crude material of compound 1research_0607__mat__cd_dsb_inh_cp1 | Powder · Target Sample · Pristine Framework | Synthesised crude/bulk material used for PXRD, IR, Raman, TGA, EPR and SEM before/after irradiation or air exposure. | 4 · IR, Raman Spectra, TGA, and PXRD Analysis · Figure S5 |
| DFT/TD-DFT model of compound 1research_0607__mat__cd_dsb_inh_cp1 | Model · Model System · Model | Molecular structure optimised by Gaussian 09/GaussView at B3LYP/LanL2DZ; TD-DFT used for electronic transitions. | 2 · Experimental Section - Theoretical Calculation · Figure 10; Figure S7; Tables S2-S3 |
| ITO/compound 1/Al sandwich-structured MS junction deviceresearch_0607__mat__cd_dsb_inh_cp1 | Electrode · Target Sample · Composite | Spin-coated compound 1 film with aluminium electrodes deposited at 10^-6 Torr through a shadow mask.ITO-coated glass with aluminium top electrode · compound 1 film ~1 um; effective area 7.065 x 10^-6 m2 | S9 · Device Fabrication and Measurements · Scheme S1 |
| Prism-shaped yellow crystals of compound 1research_0607__mat__cd_dsb_inh_cp1 | Single Crystal · Target Sample · Pristine Framework | Crystallised by solution layering over one week; used for single-crystal structure and bulk characterisation. | 2 · Experimental Section - Synthesis |
| Spin-coated compound 1 thin filmresearch_0607__mat__cd_dsb_inh_cp1 | Thin Film · Target Sample · Pristine Framework | Dispersion of compound 1 in DMF was spin-coated at 600 rpm for 5 min and then 1000 rpm for 5 min; dried under vacuum at 80 deg C.ITO-coated glass for devices; glass plate for UV-vis thin-film measurements · ~1 um | S8-S9 · Device Fabrication and Measurements |