Dutta B., Dey A., Naskar K. et al. · New Journal of Chemistry · 2018 · 10309-10316
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 optical and DFT band gaps support semiconducting behaviour for both compounds, with compound 2 having the smaller optical gap.
Caveat: Optical gaps are obtained by Tauc extrapolation from thin films prepared from DMF dispersions.
7 · Conclusions · Figs. 2-3 · Linked to 4 structured results
Compounds 1 and 2 are isostructural one-dimensional coordination polymers that assemble into 3D supramolecular architectures.
Caveat: Crystallographic tables and CIFs were available locally.
2 · Crystal data and refinement parameters · Table S1 · Linked to 8 structured results
The Cd(II) compound 2 shows higher conductivity and mobility than the Zn(II) compound 1, which the authors attribute to the larger Cd2+ ion size.
Caveat: Attribution to ionic size is an author interpretation; no controlled series beyond two isostructural compounds is reported in the main text.
6 · Electrical characterization · Tables 2-3 · Linked to 4 structured results
Light soaking improves charge transport parameters, increasing conductivity, mobility, diffusion coefficient and diffusion length while reducing series resistance.
Caveat: Values are device-derived and depend on assumed film thickness of approximately 1 micrometre.
6 · Electrical characterization/SCLC analysis · Tables 2-3 · Linked to 12 structured results
ITO/compound/Al devices for both compounds exhibit nonlinear rectifying Schottky barrier diode behaviour under dark and light conditions.
Caveat: I-V curves are shown graphically; extracted parameters are tabulated.
5 · Electrical characterization · Fig. 6; Table 2 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| compound 2; {[Cd(adc)(4-spy)2(H2O)2]}n | {[Cd(adc)(4-spy)2(H2O)2]}n; elemental formula reported as C30H26CdN2O6Cd(II) centres with distorted octahedral coordination · adc = acetylenedicarboxylate; 4-spy = 4-styrylpyridine; aqua ligands | 1D · PristineMonoclinic C2/c; isostructural with compound 1; forms a 1D chain polymer and a 3D supramolecular architecture through hydrogen bonding and C-H...pi interactions. | 1 · Abstract/Introduction |
| compound 1; {[Zn(adc)(4-spy)2(H2O)2]}n | {[Zn(adc)(4-spy)2(H2O)2]}n; elemental formula reported as C30H26ZnN2O6Zn(II) centres with distorted octahedral coordination · adc = acetylenedicarboxylate; 4-spy = 4-styrylpyridine; aqua ligands | 1D · PristineMonoclinic C2/c; carboxylate oxygen connectivity gives a 1D chain polymer that packs into a 3D supramolecular network via hydrogen bonding and C-H...pi interactions. | 1 · Abstract/Introduction |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| compound 2 as-synthesised colourless prism crystals/bulk sampleresearch_0075__mat__cd_adc_4spy_cp_2 | Single Crystal · Target Sample · Pristine Framework | Layered-solution synthesis; colourless prism-shaped crystals; used for single-crystal XRD, PXRD and TGA. | 2 · Synthesis of the compounds |
| compound 2 single-unit DFT modelresearch_0075__mat__cd_adc_4spy_cp_2 | Model · Model System · Model | Single-crystal coordinates used; disordered 4-spy ligand minimally modified and optimised. | 2 · Computational study |
| compound 2 polished pellet with silver-paste electrodesresearch_0075__mat__cd_adc_4spy_cp_2 | Pellet · Target Sample · Pristine Framework | Polished pellet; high-purity ultrafine silver paste used as electrodes on opposite surfaces. | 4 · Dielectric characterization · Figs. 4-5; Table 1 |
| ITO/compound 2/Al thin-film Schottky deviceresearch_0075__mat__cd_adc_4spy_cp_2 | Electrode · Target Sample · Pristine Framework | 40 mg mL-1 DMF dispersion spin-coated at 800 rpm for 4 min then 1200 rpm for 6 min; vacuum-oven dried at 100 deg C; Al deposited at 10^-6 Torr.precleaned ITO-coated glass; aluminium top electrode · approximately 1 micrometre | 2 · Device fabrication and characterization |
| compound 2 solid-state UV-vis film on glassresearch_0075__mat__cd_adc_4spy_cp_2 | Thin Film · Target Sample · Pristine Framework | Stable DMF dispersion used to prepare thin film for solid-state UV spectroscopy.normal glass substrate | 3 · Optical characterization · Fig. 2 |
| compound 1 as-synthesised colourless prism crystals/bulk sampleresearch_0075__mat__zn_adc_4spy_cp_1 | Single Crystal · Target Sample · Pristine Framework | Layered-solution synthesis; colourless prism-shaped crystals; used for single-crystal XRD, PXRD and TGA. | 2 · Synthesis of the compounds |
| compound 1 single-unit DFT modelresearch_0075__mat__zn_adc_4spy_cp_1 | Model · Model System · Model | Single-crystal coordinates used; disordered 4-spy ligand minimally modified and optimised. | 2 · Computational study |
| compound 1 polished pellet with silver-paste electrodesresearch_0075__mat__zn_adc_4spy_cp_1 | Pellet · Target Sample · Pristine Framework | Polished pellet; high-purity ultrafine silver paste used as electrodes on opposite surfaces. | 4 · Dielectric characterization · Figs. 4-5; Table 1 |
| ITO/compound 1/Al thin-film Schottky deviceresearch_0075__mat__zn_adc_4spy_cp_1 | Electrode · Target Sample · Pristine Framework | 40 mg mL-1 DMF dispersion spin-coated at 800 rpm for 4 min then 1200 rpm for 6 min; vacuum-oven dried at 100 deg C; Al deposited at 10^-6 Torr.precleaned ITO-coated glass; aluminium top electrode · approximately 1 micrometre | 2 · Device fabrication and characterization |
| compound 1 solid-state UV-vis film on glassresearch_0075__mat__zn_adc_4spy_cp_1 | Thin Film · Target Sample · Pristine Framework | Stable DMF dispersion used to prepare thin film for solid-state UV spectroscopy.normal glass substrate | 3 · Optical characterization · Fig. 2 |