Martin C.R., Leith G.A., Kittikhunnatham P. et al. · Angewandte Chemie - International Edition · 2021 · 8072-8080
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.
A TCNQ@Zr-65% MOF FET shows drain current control by both gate voltage and UV light, enabling a two-LED fail-safe circuit demonstration.
Caveat: FET demonstration used the Zr model framework, not the radioactive Th/U actinide samples; extracted current changes are qualitative because no numeric transfer data table was provided.
8078 · Results and Discussion · Figure 4 · Linked to 2 structured results
DFT indicates that frontier orbitals near the Fermi level in photochromic MOFs are localised on the spiropyran/merocyanine linkers, while non-photoresponsive Th/U-MOF DOS near the Fermi edge originates mainly from actinide 5f orbitals.
Caveat: Computational models use truncated SBUs rather than full periodic experimental frameworks.
8076-8077 · Results and Discussion · Figure 3a and Figures S24-S30 · Linked to 3 structured results
Photochromic TNDA2- linker installation enables dynamic tuning of conductivity and optical band gap under alternating UV/visible excitation.
Caveat: Conductivity modulation magnitudes are sample and guest dependent; some device current effects are graphical rather than tabulated.
8077 · Results and Discussion · Figures 2-3 and Table S4 · Linked to 5 structured results
Integrating U4+ into Th-MOF to form Th5U-MOF statically increases conductivity relative to pristine Th-MOF.
Caveat: Comparison is between bulk pressed-pellet powders; U-MOF itself was unstable for measurement.
8077 · Results and Discussion · Table S4 · Linked to 3 structured results
Iodine and TCNQ guest loading enhance MOF conductivity, likely through iodine-ligand or guest-ligand charge-transfer interactions rather than metal oxidation for Th4+ and Zr4+ nodes.
Caveat: Mechanism is inferred by authors from node redox resistance and literature; direct charge-transfer characterisation is not fully quantified in extracted data.
8077 · Results and Discussion · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| I2- and TCNQ-loaded MOFs | Guest-loaded Zr-MOF, Zr-65%, Th-MOF, Th-65%, and Th5U-50% variantsZr4+, Th4+, or mixed Th4+/U4+ nodes depending on host · Me2BPDC with optional TNDA2-; guests I2 or TCNQ | 3D · PristineGuest-loaded frameworks confirmed by PXRD/FTIR and, for iodine or TCNQ loading, ICP-MS or digestion NMR where reported. | S10-S11 · Guest loading procedures · Figures S36-S45 |
| Th5U-MOF | Th4.77U1.23(OH)8O4(Me2BPDC)4Mixed Th4+/U4+ oxo/hydroxo cluster nodes · Me2BPDC | 3D · PristineHeterometallic actinide MOF made by transmetallation; XPS showed U4+ retained and ICP-MS determined U/Th ratio. | 8074 · Results and Discussion · Figures S9-S10 |
| Th5U-50% | Th5U-MOF with TNDA2- linker installedMixed Th4+/U4+ oxo/hydroxo cluster nodes · Me2BPDC plus postsynthetically installed photochromic TNDA2- | 3D · PristinePhotochromic heterometallic Th/U MOF; PXRD retained crystallinity before/after UV. | 8075 · Results and Discussion · Figures S15-S16 |
| Th-MOF | Th6(OH)8O4(Me2BPDC)4Th4+ oxo/hydroxo cluster nodes · Me2BPDC | 3D · PristineActinide parent framework; PXRD compared with simulated pattern. | 8074 · Results and Discussion · Figure 1 |
| Th-34% / Th-65% | Th-MOF with TNDA2- linker installedTh4+ oxo/hydroxo cluster nodes · Me2BPDC plus postsynthetically installed photochromic TNDA2- | 3D · PristinePhotochromic Th-MOF; PXRD retained crystallinity before/after UV. | 8075 · Results and Discussion · Figures S13-S14 |
| U-MOF | U6(OH)8O4(Me2BPDC)4U4+ oxo/hydroxo cluster nodes · Me2BPDC | 3D · PristineParent uranium MOF used as transmetallation precursor; measurements were challenging due to instability. | S6 · Materials |
| Zr-MOF | Zr6(OH)8O4(Me2BPDC)4Zr4+ oxo/hydroxo cluster nodes · H2Me2BPDC / Me2BPDC | 3D · PristineTopologically analogous Zr framework; unsaturated nodes and approximately 16 A pores; PXRD compared with simulated pattern. | 8074 · Results and Discussion · Figure 1 |
| Zr-33% / Zr-65% | Zr-MOF with TNDA2- linker installedZr4+ oxo/hydroxo cluster nodes · Me2BPDC plus postsynthetically installed photochromic TNDA2- | 3D · PristinePhotochromic Zr-MOF compositions with 33% or 65% TNDA linker installation; PXRD retained crystallinity before/after UV. | 8074 · Results and Discussion · Figures S6-S8 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| DFT truncated SBU model systemsresearch_0609__mat__mat_th5u_tnda | Model · Model System · Model | VASP/GGA-PBE truncated SBU models for pristine and photoswitch-containing Zr, Th, and Th5U MOFs | S14 · Theoretical calculations · Figures S24-S30 and Table S3 |
| I2@Th-34%research_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | iodine-loaded Th-34% | S38 · Table S5 · Table S5 |
| I2@Th5U-50%research_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | iodine vapour-loaded Th5U-50% | 8077 · Results and Discussion · Table S4 |
| I2@Th-65%research_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | iodine vapour-loaded Th-65% | S10 · Preparation of iodine-loaded frameworks |
| I2@Th-MOFresearch_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | iodine vapour-loaded Th-MOF | S10 · Preparation of iodine-loaded frameworks |
| I2@Zr-33%research_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | iodine-loaded Zr-33% | S38 · Table S5 · Table S5 |
| I2@Zr-MOFresearch_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | iodine vapour-loaded Zr-MOF | S10-S11 · Guest loading procedures · Table S5 and Figures S36-S45 |
| TCNQ@Th-65%research_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | TCNQ loaded into Th-65% | 8077 · Results and Discussion · Table S4 |
| TCNQ@Th-MOFresearch_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | TCNQ loaded into Th-MOF | 8077 · Results and Discussion · Table S4 |
| TCNQ@Zr-65% FETresearch_0609__mat__mat_guest_loaded | Thin Film · Model System · Guest Loaded | MOF crystals drop-cast from DMF suspension between Ti/Au electrodesheavily boron-doped Si wafer with 285 nm thermally grown SiO2; Ti/Au electrodes | S12-S13 · MOF-based field-effect transistor preparation |
| TCNQ@Zr-65% powderresearch_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | TCNQ loaded into Zr-65% before device fabrication or powder characterisation | S10-S11 · Guest loading procedures · Table S5 and Figures S36-S45 |
| TCNQ@Zr-MOFresearch_0609__mat__mat_guest_loaded | Powder · Target Sample · Guest Loaded | TCNQ loaded into Zr-MOF | S11 · Preparation of tetracyanoquinodimethane-loaded frameworks |
| Th-34%research_0609__mat__mat_th_tnda | Powder · Target Sample · Doped | TNDA2- linker installed in Th-MOF at 75 deg C for 72 h | 8075 · Results and Discussion · Figures S17 |
| Th5U-50%research_0609__mat__mat_th5u_tnda | Powder · Target Sample · Mixed Metal | TNDA2- installed in mixed Th/U host at 85 deg C for 72 h | 8075 · Results and Discussion · Figures S15-S18 |
| Th5U-MOFresearch_0609__mat__mat_th5u_mof | Powder · Target Sample · Mixed Metal | mixed-metal framework from U-MOF transmetallation with Th nitrate | S10 · Preparation of Th5U-MOF |
| Th-65%research_0609__mat__mat_th_tnda | Powder · Target Sample · Doped | TNDA2- linker installed in Th-MOF at 85 deg C for 72 h | 8075 · Results and Discussion · Figure 3 |
| Th-MOF powderresearch_0609__mat__mat_th_mof | Powder · Pristine Control · Pristine Framework | parent framework | 8077 · Results and Discussion · Table S4 |
| U-MOF powderresearch_0609__mat__mat_u_mof | Powder · Pristine Control · Pristine Framework | parent uranium framework; transmetallation precursor | 8077 · Results and Discussion |
| Zr-33%research_0609__mat__mat_zr_tnda | Powder · Target Sample · Doped | postsynthetically installed TNDA2- linker; 75 deg C, 72 h | S10 · Linker installation procedure |
| Zr-65%research_0609__mat__mat_zr_tnda | Powder · Target Sample · Doped | postsynthetically installed TNDA2- linker; 85 deg C, 72 h | 8078 · Results and Discussion · Figure 4c |
| Zr-MOF powderresearch_0609__mat__mat_zr_mof | Powder · Pristine Control · Pristine Framework | freshly synthesized; used as host/control | 8074 · Results and Discussion |