Primary studyCore evidenceTransport Physics

Structural Control of Photoconductivity in a Flexible Titanium-Organic Framework

Chinchilla-Garzon C., Galbiati M., Misturini A. et al. · Advanced Materials · 2025 · 2412045

2materials
8samples
4synthesis routes
19measurements
99results
8claims and caveats

Evidence map

Open a family to keep every result attached to its sample, method and conditions.

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

Application RelevanceSupport assessment: High

Photocurrent is wavelength dependent and peaks near the optical absorption maximum around 440 nm.

Caveat: Several wavelength current values are figure-read approximations.

13 · Photoinduced conductivity · Figure 5e · Linked to 3 structured results

Application RelevanceSupport assessment: Medium

The reported 2.5 x 10^-3 S m^-1 photoconductivity is close to the highest through-space conductive MOF values while retaining high porosity.

Caveat: The comparison is to literature TTF/TTFTB systems and uses two-probe single-crystal data for MUV-35-c.

14 · Conclusion · Linked to 3 structured results

CaveatSupport assessment: High

EPR before/after irradiation did not resolve a Ti3+ signal, leaving the metal-centred charge-transfer contribution unconfirmed.

Caveat: The Mn2+ signal dominates the spectra and masks possible lower-intensity features.

11 · Photoinduced conductivity · Figure S23 · Linked to 3 structured results

Phase AssignmentSupport assessment: High

MUV-35-c is the conductive/photoconductive pristine MOF phase measured in this paper.

Caveat: Transport measurements were restricted to the folded closed phase; the open phase could not be compared electrically.

12 · Photoinduced conductivity · Linked to 3 structured results

Structure Property LinkSupport assessment: Medium

Folding of MUV-35 is thermodynamically favoured and effectively irreversible under comparable conditions, unlike flexible MOFs with closer open/closed energy minima.

Caveat: Irreversibility is argued from experiments and calculations rather than from an exhaustive reversibility matrix.

11 · Theoretical description · Linked to 3 structured results

Structure Property LinkSupport assessment: High

Solvent loss drives MUV-35 from open/intermediate to a closed folded state with large unit-cell compression and altered π-stacking.

Caveat: The SI notes the intermediate state is metastable and difficult to capture experimentally.

7 · Results and discussion · Figure 3 · Linked to 4 structured results

Transport MechanismSupport assessment: High

Computations support an enthalpically driven folding mechanism dominated by dispersive interframework π-π interactions.

Caveat: pGFN-FF/MD energy decomposition is computational evidence and not a direct calorimetric measurement.

10 · Theoretical description · Figure 4c · Linked to 4 structured results

Transport MechanismSupport assessment: Medium

Photoconductivity is attributed to through-space hopping along π-stacked BTT/BTTTB linker units rather than dominant linker-to-metal charge transfer.

Caveat: EPR did not identify Ti3+ formation; mechanism is inferred from DFT, packing, and transport response.

12 · Photoinduced conductivity · Linked to 3 structured results

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

MaterialCompositionStructure contextSource
H3BTTTB linkerNot specifiedunknown · Unknown6 · S.2.1 · Scheme S2
MUV-35Not specifiedTiMn2 heterometallic trimers · BTTTB / H3BTTTBunknown · Unknown1 · Abstract

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 8 sample records
SampleForm and roleProcessing and geometrySource
H3BTTTB ligandresearch_0419__mat__h3btttb_ligandPowder · Pristine Control · Unknownpristine_control6 · S.2.1 · Scheme S2
activated MUV-35 for N2 sorptionresearch_0419__mat__muv35Powder · Target Sample · Pristine Frameworktarget_sample5 · Results and discussion · Figure 2e
as-made MUV-35 crystalsresearch_0419__mat__muv35Single Crystal · Target Sample · Guest Loadedtarget_sample7 · S.2.2
MUV-35-c closed phaseresearch_0419__mat__muv35Single Crystal · Target Sample · Pristine Frameworktarget_sample7 · Results and discussion · Figure 3a
single-crystal MUV-35-c two-probe deviceresearch_0419__mat__muv35Electrode · Target Sample · Pristine Frameworktarget_sample34 · S.6.4 · Figure S27
MUV-35-i intermediate phaseresearch_0419__mat__muv35Single Crystal · Target Sample · Guest Loadedtarget_sample7 · Results and discussion · Figure 3a
MUV-35 computational modelresearch_0419__mat__muv35Model · Model System · Modelmodel_system25 · S.5.3 · Figure S19
MUV-35-o open phaseresearch_0419__mat__muv35Single Crystal · Target Sample · Guest Loadedtarget_sample7 · Results and discussion · Figure 3a