Dutta B., Ghosh S.R., Ray A. et al. · New Journal of Chemistry · 2020 · 15857-15870
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 paper does not report BET porosity, electrochemical application testing, thermoelectric data, or proton-conductivity measurements despite mentioning possible proton-conducting applications.
Caveat: Only electrical dielectric/impedance/ac-conductivity data are first-hand transport evidence.
13 · Conclusion
Compounds 1 and 2 reversibly desorb and reabsorb lattice water while retaining PXRD patterns after dehydration/rehydration.
Caveat: PXRD evidence is qualitative peak matching; no sorption isotherm was reported.
10 · Thermal stability and dehydration/rehydration studies · Fig. S6-S9 · Linked to 3 structured results
Changing the bridging ligand from fumarate to mesaconate reduces the cavity size and switches water-cluster recognition from a cyclic tetramer in 1 to a ring dimer in 2.
Caveat: Mechanistic interpretation is structural/computational, not a transport metric.
10 · Design strategy for encapsulation of water clusters · Linked to 4 structured results
AC conduction is attributed mainly to interface charge polarisation and intrinsic dipole polarisation in the metal-coordination polymer pellets.
Caveat: Mechanism is inferred from frequency response and literature analogy, not independently proven by carrier-specific measurements.
12 · Ac conductivity · Fig. 11 · Linked to 1 structured result
Both compounds show temperature-dependent conductivity variation consistent with semiconducting/NTCR behaviour.
Caveat: No DC conductivity table or activation energy is reported; conductivity values are graphical/qualitative.
13 · Conclusion · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| compound 1; {[Zn(fum)(4-nvp)2].2H2O}n | {[Zn(fum)(4-nvp)2].2H2O}n; crystallographic formula C38H32N2O6ZnZn(II) centres / Zn2 dimeric units · fumarate (fum) bridging ligand; 4-(1-naphthylvinyl)pyridine (4-nvp) axial ligand | 2D · Pristinemonoclinic P21/c; 2D (4,4) square-grid sheet, interdigitated into 3D supramolecular architecture; cavity-bound cyclic h40uudd water tetramer | 1 · Abstract |
| compound 2; {[Zn(mes)(4-nvp)2].H2O}n | {[Zn(mes)(4-nvp)2].H2O}n; crystallographic formula C39H32N2O5ZnZn(II) centres / Zn2 dimeric units · mesaconate (mes) bridging ligand; 4-(1-naphthylvinyl)pyridine (4-nvp) axial ligand | 2D · Pristinemonoclinic P21/c; 2D (4,4) square-grid/rhombic sheet, interdigitated into 3D supramolecular architecture; cavity-bound water ring dimer | 1 · Abstract |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| compound 1 yellow needle-shaped crystals, as synthesisedresearch_0448__mat__mof_1_zn_fum_4nvp_2h2o | Single Crystal · Target Sample · Guest Loaded | as-synthesised hydrated crystals; contains two lattice water molecules | 2 · Synthesis of compound 1 |
| dehydrated compound 1research_0448__mat__mof_1_zn_fum_4nvp_2h2o | Powder · Target Sample · Pristine Framework | heated at 145 C under vacuum for 1 h to remove guest water | 10 · Thermal stability and dehydration/rehydration studies · Fig. S6/S8 |
| compound 1 pressed pelletresearch_0448__mat__mof_1_zn_fum_4nvp_2h2o | Pellet · Target Sample · Guest Loaded | powder pressed to 8.0 mm diameter pellet under 5.0 tons per inch2; measured in air and darkcopper electrodes · 1.0 mm | 4 · Device fabrication and characterization |
| rehydrated compound 1research_0448__mat__mof_1_zn_fum_4nvp_2h2o | Powder · Target Sample · Guest Loaded | dehydrated sample exposed to water vapour; exact exposure time not stated | 10 · Thermal stability and dehydration/rehydration studies · Fig. S8 |
| compound 2 yellow needle-shaped crystals, as synthesisedresearch_0448__mat__mof_2_zn_mes_4nvp_h2o | Single Crystal · Target Sample · Guest Loaded | as-synthesised hydrated crystals; contains one lattice water molecule | 3 · Synthesis of compound 2 |
| dehydrated compound 2research_0448__mat__mof_2_zn_mes_4nvp_h2o | Powder · Target Sample · Pristine Framework | heated at 145 C under vacuum for 1 h to remove guest water | 10 · Thermal stability and dehydration/rehydration studies · Fig. S7/S9 |
| compound 2 pressed pelletresearch_0448__mat__mof_2_zn_mes_4nvp_h2o | Pellet · Target Sample · Guest Loaded | pressed pellet inferred from same electrical/impedance protocol used for compounds 1 and 2copper electrodes · 1.0 mm | 11 · Complex impedance study |
| rehydrated compound 2research_0448__mat__mof_2_zn_mes_4nvp_h2o | Powder · Target Sample · Guest Loaded | dehydrated sample exposed to water vapour; exact exposure time not stated | 10 · Thermal stability and dehydration/rehydration studies · Fig. S9 |
| DFT/AIM/NCI water-cluster model systems for compounds 1 and 2research_0448__mat__mof_1_zn_fum_4nvp_2h2o | Model · Model System · Model | cluster/cavity geometries chosen from crystal structures; water clusters optimised with fixed framework coordinates | 3 · Computational methodology |