Rambabu D., Goossens T., Bakuru V.R. et al. · Chem · 2025 · 102590
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.
Fe and Al frameworks show reversible hydration/dehydration breathing, while Sc and In show less straightforward or irreversible structural changes after dehydration.
Caveat: For Fe _pd the paper notes metastability under ambient/humid air.
p014 · Figure S9 discussion · Figure S9 · Linked to 4 structured results
The Al-DOBDP phases are proton-conducting but do not show comparable electronic conductivity, supporting a role for redox-active Fe centres in electron transport.
Caveat: Al_d has very small electronic conductivity in Table 2; text describes Al hydrated/partially hydrated phases as only proton conducting.
p008 · Mixed proton-electron transport · Table 2; Figure S23 · Linked to 5 structured results
The Fe-Al-Sc-In tetrametallic analogue remains isostructural and shows mixed proton/electronic conductivity, similar to the Fe-based phase.
Caveat: Transport values are reported in SI Table S7; detailed error analysis is not provided in the extracted text.
p004-p008 · Synthesis and physicochemical analysis; Mixed proton-electron transport · Figure 1; Figure S24; Table S7 · Linked to 3 structured results
Electronic conductivity in Fe-DOBDP is proposed to occur through redox hopping between Fe(III) centres along the [Fe(O2P-OH)3]n one-dimensional chains.
Caveat: The hopping pathway is a proposed mechanism supported by Fe/Al comparison and DFT band-gap trend, not directly imaged.
p008 · Mixed proton-electron transport · Figure 4D · Linked to 4 structured results
Hydrated and partially hydrated Fe-DOBDP phases are mixed proton-electron conductors, with the hydrated Fe phase giving the best combined proton and electronic conductivity.
Caveat: Conductivity was measured on pressed powder pellets; anisotropy along the proposed chains is not directly resolved.
p007-p008 · Mixed proton-electron transport · Figure 4; Table 2 · Linked to 4 structured results
Uncoordinated hydroquinone/quinone centres in Fe and Al MOFs undergo reversible chemical and electrochemical redox, with the redox response attributed to the linker rather than the Fe centre.
Caveat: CV uses MOF/carbon/PTFE composite electrodes, so electrochemical peak currents are not pristine-framework-only.
p008-p009 · Reversible redox behavior · Figure 5 · Linked to 3 structured results
Proton conductivity is attributed primarily to uncoordinated phosphonate P-OH groups assisted by an ordered water hydrogen-bond network along the c axis.
Caveat: Mechanism is inferred from structure, pKa reasoning and activation energies rather than direct proton tracking.
p005-p008 · Water sorption and structure dynamics; Mixed proton-electron transport · Figures 2 and 4D; Table S3 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Aluminium DOBDP MOF | H12-Al2-(DOBDP)3Al(III) metal-phosphonate nodes isostructural to Fe analogue · H4-DOBDP2- phosphonate-phenolate linker | 3D · PristineSuper-hydrated Al single crystal indexed in trigonal P-3c1; hydrated and partially hydrated phases remain proton conductive but electron insulating. | p003-p005 · Synthesis and physicochemical analysis · Table 1 |
| DFT model of Al DOBDP MOF with variable water content | H12-Al2-(DOBDP)3.xH2O modelAl(III) phosphonate nodes in P-1/P-3c1 model cells · H4-DOBDP2- linker | 3D · Model SystemPBC DFT models for fully hydrated, dehydrated and inserted-water structures. | p019-p027 · DFT Section · Figures S14-S19; Tables S5-S6 |
| Iron DOBDP MOF | H12-Fe2-(DOBDP)3Fe(III) metal-phosphonate nodes; [Fe(O2P-OH)3]n chains along c axis · H4-DOBDP2- phosphonate-phenolate linker | 3D · PristineHydrated/super-hydrated Fe phase is honeycomb hexagonal P-3c1; partial dehydration gives triclinic P-1 phases; c-axis channels about 13 Angstrom wide. | p003-p004 · Synthesis and physicochemical analysis · Figure 1 |
| H12-M2-(DOBDP)3 MOF family | H12-M2-(DOBDP)3, M(III) = Fe, Al, Sc, In; H6-DOBDP = 2,5-dihydroxy-1,4-benzenediphosphonic acidTrivalent metal nodes octahedrally coordinated to six phosphonate groups; [M(O2P-OH)3]n one-dimensional chain-like SBUs along c. · H4-DOBDP2- / 2,5-dihydroxy-1,4-benzenediphosphonate with uncoordinated P-OH and hydroquinone/phenolate groups | 3D · PristinePorous honeycomb-type hexagonal 3D framework; Fe and Al single-crystal phases in trigonal P-3c1; hydrated/dehydrated phases can distort to triclinic P-1. | p002-p003 · Summary; Synthesis and physicochemical analysis |
| Indium DOBDP MOF | H12-In2-(DOBDP)3In(III) metal-phosphonate nodes · H4-DOBDP2- phosphonate-phenolate linker | 3D · PristineIsostructural hydrated hexagonal MOF by powder XRD; dehydrated In-MOF shows irreversible changes after rehydration. | p003-p005 · Synthesis and physicochemical analysis; Water sorption and structure dynamics · Figure 1B; Figure S9 |
| Scandium DOBDP MOF | H12-Sc2-(DOBDP)3Sc(III) metal-phosphonate nodes · H4-DOBDP2- phosphonate-phenolate linker | 3D · PristineIsostructural hydrated hexagonal MOF by powder XRD; different phase changes during dehydration relative to Fe/Al. | p003-p005 · Synthesis and physicochemical analysis; Water sorption and structure dynamics · Figure 1B; Table 1 |
| Tetrametallic Fe-Al-Sc-In DOBDP MOF | H12-(Fe0.31Al0.06Sc0.44In0.19)2-(DOBDP)3Mixed Fe, Al, Sc and In trivalent metal-phosphonate nodes · H4-DOBDP2- phosphonate-phenolate linker | 3D · PristineIsostructural to monometallic hydrated phases by XRD; uniform Fe/Al/Sc/In distribution by TEM-EDX mapping. | p004 · Synthesis and physicochemical analysis · Figure 1D-G |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| H12-Al2-(DOBDP)3 (_d)research_0284__mat__mat_al_dobdp | Powder · Pristine Control · Pristine Framework | fully dehydrated Al phase; 0 H2O | p005 · Water sorption and structure dynamics · Table 1 |
| Al-MOF solid-electrode CV compositeresearch_0284__mat__mat_al_dobdp | Electrode · Composite Sample · Composite | H12-Al2-(DOBDP)3_h ground with SP carbon and PTFE binder, dispersed in ethanol, drop-castglassy carbon electrode | p010 · CV · Figure 5 |
| H12-Al2-(DOBDP)3.12H2O (_h) powderresearch_0284__mat__mat_al_dobdp | Powder · Pristine Control · Guest Loaded | hydrated powder; 40 deg C product selected for further studies | p010 · Synthetic procedures · Figure S2 |
| Al-DOBDP PBC/DFT water-insertion modelresearch_0284__mat__mat_al_dobdp_model | Model · Model System · Model | P-1/P-3c1 optimised structures with 0, 2, 4 and 8 water molecules per unit cell | p022-p027 · DFT Section · Table S6; Figures S16-S19 |
| H12-Al2-(DOBDP)3.8H2O (_ph)research_0284__mat__mat_al_dobdp | Powder · Pristine Control · Guest Loaded | partially hydrated Al phase | p005 · Water sorption and structure dynamics · Table 1 |
| H12-Al2-(DOBDP)3 super-hydrated single crystalsresearch_0284__mat__mat_al_dobdp | Single Crystal · Pristine Control · Guest Loaded | single crystals grown at room temperature for 2 years | p010 · Synthetic procedures · Table 1; Table S2 |
| Fe/Al chemical redox phase seriesresearch_0284__mat__mat_h12_m2_dobdp_series | Powder · Paper Level Unspecified · Unknown | paper_level_unspecified | p011 · Chemical oxidation-reduction of H12-M2-(DOBDP)3 (M = Fe, Al) · Figure 5; Figure S25 |
| H12-Fe2-(DOBDP)3 (_d)research_0284__mat__mat_fe_dobdp | Powder · Target Sample · Pristine Framework | fully dehydrated phase; 0 H2O | p005 · Water sorption and structure dynamics · Table 1 |
| Fe-MOF solid-electrode CV compositeresearch_0284__mat__mat_fe_dobdp | Electrode · Composite Sample · Composite | H12-Fe2-(DOBDP)3_h ground with SP carbon and PTFE binder, dispersed in ethanol, drop-castglassy carbon electrode | p010 · CV · Figure 5 |
| H12-Fe2-(DOBDP)3.12H2O (_h) powderresearch_0284__mat__mat_fe_dobdp | Powder · Target Sample · Guest Loaded | hydrated pristine powder, open-air dried; used for transport and further studies | p010 · Synthetic procedures · Figure S1 |
| H12-Fe2-(DOBDP)3.3H2O (_pd)research_0284__mat__mat_fe_dobdp | Powder · Target Sample · Guest Loaded | partially dehydrated Fe phase prepared under inert vacuum conditions | p005 · Water sorption and structure dynamics · Table 1 |
| H12-Fe2-(DOBDP)3.7H2O (_ph)research_0284__mat__mat_fe_dobdp | Powder · Target Sample · Guest Loaded | partially hydrated phase from vacuum drying at room temperature | p005 · Water sorption and structure dynamics · Table 1 |
| H12-Fe2-(DOBDP)3.21H2O (_sh) single crystal / mixed phaseresearch_0284__mat__mat_fe_dobdp | Single Crystal · Target Sample · Guest Loaded | super-hydrated; as-prepared single crystals separated from mixed crystal/powder product | p003 · Synthesis and physicochemical analysis |
| H12-In2-(DOBDP)3 (_d)research_0284__mat__mat_in_dobdp | Powder · Target Sample · Pristine Framework | fully dehydrated phase; 0 H2O | p014 · Figure S9 discussion · Figure S9 |
| H12-In2-(DOBDP)3.18H2O (_h)research_0284__mat__mat_in_dobdp | Powder · Target Sample · Guest Loaded | hydrated powder | p005 · Water sorption and structure dynamics · Table 1 |
| H12-In2-(DOBDP)3.4H2O (_ph)research_0284__mat__mat_in_dobdp | Powder · Target Sample · Guest Loaded | partially hydrated phase after dehydration | p005 · Water sorption and structure dynamics · Table 1 |
| Fe/Al/Sc/In processed-phase rehydration seriesresearch_0284__mat__mat_h12_m2_dobdp_series | Powder · Paper Level Unspecified · Unknown | paper_level_unspecified | p010 · Rehydration of _ph, _pd, and _d MOFs · Figure S9 |
| H12-Sc2-(DOBDP)3 (_d)research_0284__mat__mat_sc_dobdp | Powder · Target Sample · Pristine Framework | fully dehydrated phase; 0 H2O | p014 · Figure S9 discussion · Figure S9 |
| H12-Sc2-(DOBDP)3.18H2O (_h)research_0284__mat__mat_sc_dobdp | Powder · Target Sample · Guest Loaded | hydrated powder | p005 · Water sorption and structure dynamics · Table 1 |
| Sc/In fully dehydrated phase seriesresearch_0284__mat__mat_h12_m2_dobdp_series | Powder · Paper Level Unspecified · Unknown | paper_level_unspecified | p010 · Dehydration of H12-M2-(DOBDP)3_h MOFs |
| H12-Sc2-(DOBDP)3.4H2O (_ph)research_0284__mat__mat_sc_dobdp | Powder · Target Sample · Guest Loaded | partially hydrated phase after dehydration | p005 · Water sorption and structure dynamics · Table 1 |
| H12-(Fe-Al-Sc-In)2-(DOBDP)3_hresearch_0284__mat__mat_tetra_dobdp | Powder · Target Sample · Mixed Metal | hydrated tetrametallic mixed-metal powder | p004 · Synthesis and physicochemical analysis · Figure 1 |