Kaur R., Sen S., Larsen M.C. et al. · Journal of the American Chemical Society · 2020 · 11497-11505
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 work demonstrates tunable conductivity in hierarchical 3D SOFs built from neutral, metal-free donor and fullerene acceptor components.
Caveat: Conductivities are modest compared with many conductive MOFs/COFs and are measured on fragile single crystals.
p007 / article p.11503 · Conclusions · Linked to 3 structured results
Photoirradiation did not increase the conductivity of 2, (2*C60)n or (2*C70)n under the tested wavelengths.
Caveat: Reported qualitatively; no separate numeric illuminated conductivities were tabulated.
S46 · Single crystal conductivity experiments · Figures S60-S61 · Linked to 1 structured result
The structural data establish the host-guest binding modes, but fullerene and solvent disorder make the C60 and C70 SOF refinements challenging.
Caveat: CIF files would be needed for detailed positional and thermal parameter extraction.
p003 / article p.11499 · Single-Crystal X-ray Structural Studies · Figure 2 · Linked to 3 structured results
The C70-based SOF is the best conductor in the study, reaching 1.3 x 10^-8 S cm^-1 at 298 K and outperforming both pristine 2 and the C60 analogue.
Caveat: Conductivity values are reliable only along the crystallographic z axis.
p001 / article p.11497 · Abstract · Linked to 3 structured results
C70 is proposed to pack and overlap more effectively with receptor 2 than C60, helping explain the higher conductivity of the C70 SOF.
Caveat: Fullerenes are highly disordered in both SOFs, and the explanation is partly speculative.
p003 / article p.11499 · Single-Crystal X-ray Structural Studies · Figure 2 · Linked to 3 structured results
Transient absorption supports charge-transfer states in the fullerene SOFs rather than fully charge-separated 2 radical cation/fullerene radical anion states.
Caveat: Assignments depend on global-target analysis and benchmark fullerene anion absorptions.
p001 / article p.11497 · Abstract · Figure 4 · Linked to 4 structured results
The proposed z-axis conductive path involves zigzag interactions from sulfur-sulfur contacts between neighbouring exTTF units and fullerene bridges between porphyrins.
Caveat: Mechanistic pathway is inferred from DFT and crystal packing rather than direct microscopic current mapping.
p007 / article p.11503 · Single-Crystal Conductivity Studies · Figure 5c-d · Linked to 2 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| DFT model 2*(C60)3 | 2*(C60)3 modelNone · Receptor 2 with three C60 guests occupying recognition sites | 0D · Model SystemGas-phase putative encapsulated model for orbital and NTO analysis. | p006 / article p.11502 · Density functional theory · Figures S53 and S55 |
| DFT model 2*(C70)3 | 2*(C70)3 modelNone · Receptor 2 with three C70 guests occupying recognition sites | 0D · Model SystemGas-phase putative encapsulated model for orbital and NTO analysis. | S43 · Theoretical studies on 2 and its fullerene complexes · Figure S54 |
| exTTF-porphyrin macrocyclic receptor 2 | C108H92N8S16None; metal-free organic receptor · Two exTTF-porphyrin units connected by butadiyne linkers through meta-phenylene meso substituents | 3D · PristinePristine receptor 2 forms a SOF-like solid with slipped-sandwich packing and infinite 1D solvent-filled channels. | p002 / article p.11498 · Results and Discussion - Single-Crystal X-ray Structural Studies · Figure 1 |
| (2*C60)n supramolecular organic framework | C168H92N8S16None; neutral organic host-guest framework · exTTF-porphyrin receptor 2 with C60 fullerene guests | 3D · CompositeOrthorhombic Fddd 3D SOF formed by self-assembly of receptor 2 and C60 with saddle-like and pseudohexagonal-core fullerene binding modes. | p004 / article p.11500 · Figure 2 caption · Figure 2 |
| (2*C70)n supramolecular organic framework | C378H64N16S32None; neutral organic host-guest framework · exTTF-porphyrin receptor 2 with C70 fullerene guests | 3D · CompositeOrthorhombic Fddd 3D SOF formed by self-assembly of receptor 2 and C70, with stronger pseudohexagonal-cavity interactions and higher conductivity than the C60 analogue. | p003 / article p.11499 · Single-Crystal X-ray Structural Studies · Figure 2; SI Figure S25 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| solution host-guest complex of 2 with C60research_0266__mat__mat_sof_c60 | Unknown · Model System · Model | Dilute host-guest solution used to quantify binding and transient charge-transfer behaviour. | S30-S34 · Additional photophysical data · Figures S33, S34, S40 and S41 |
| solution host-guest complex of 2 with C70research_0266__mat__mat_sof_c70 | Unknown · Model System · Model | Dilute host-guest solution used to quantify binding and transient charge-transfer behaviour. | p003-p004 / article pp.11499-11500 · 1H NMR Spectroscopic Titrations; Photophysical Studies · Figures 3, S20, S32 and S39 |
| DFT model 2*(C60)3research_0266__mat__mat_model_2_c60_3 | Model · Model System · Model | Gas-phase DFT model. | S43 · Theoretical studies · Figure S53 |
| DFT model 2*(C70)3research_0266__mat__mat_model_2_c70_3 | Model · Model System · Model | Gas-phase DFT model. | S43 · Theoretical studies · Figure S54 |
| single crystals of pristine receptor 2research_0266__mat__mat_receptor_2 | Single Crystal · Pristine Control · Pristine Framework | Diffraction-grade single crystals; conductivity measured along crystallographic z axis. | S19-S20 · Single crystal X-ray structure analyses · Figure S21; Table S1 |
| receptor 2 in solutionresearch_0266__mat__mat_receptor_2 | Unknown · Pristine Control · Pristine Framework | Dilute solutions in toluene, benzonitrile or dichloromethane for spectroscopy and electrochemistry. | p004-p005 / article pp.11500-11501 · Photophysical Studies · Figure 3 |
| single crystals of (2*C60)n SOFresearch_0266__mat__mat_sof_c60 | Single Crystal · Target Sample · Guest Loaded | Very dark, almost black prisms grown by vapour diffusion; fragile crystals mounted with conductive paste for transport. | S21 · Single crystal X-ray structure of the supramolecular complex of 2 with C60 · Table S2; Figure S23 |
| single crystals of (2*C70)n SOFresearch_0266__mat__mat_sof_c70 | Single Crystal · Target Sample · Guest Loaded | Very dark green rods grown by vapour diffusion; fragile crystals mounted with conductive paste for transport. | S24 · Single crystal X-ray structure of the supramolecular complex of 2 with C70 · Table S3; Figure S25 |