Tominaka S., Yeung H.H.-M., Henke S. et al. · CrystEngComm · 2016 · 398-406
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.
Hydration and other post-synthetic treatments are suggested as strategies to destabilise Li coordination spheres and potentially improve Li-ion conduction.
Caveat: Forward-looking design suggestion; not demonstrated for the target aq-based LCPs in this paper.
p008 · 3.5 Origin of the correlation and importance of the exceptions · Table S6 · Linked to 2 structured results
The aq-based LCPs are also not lithium-conductive, attributed to short Li-O bonds in the coordination spheres.
Caveat: The article presents this as a conclusion/inference; no numeric Li-ion conductivity measurement is reported.
p009 · 4. Conclusions · Linked to 4 structured results
Compound 2 may hydrate at the surface to form compound 1, especially in the ATR-sensitive FTIR region.
Caveat: Based on FTIR similarity and reported elemental/TGA/PXRD caveats rather than direct bulk conversion quantification.
p007 · 4. FTIR data · Fig. S6 · Linked to 3 structured results
In compound 7, charge states in the organic molecules are determined by both direct Li+ coordination and other coordination bonds in the crystal structure.
Caveat: Additional SI compound; no conductivity measurement reported.
p017 · 9. Additional compound · Fig. S12 · Linked to 2 structured results
There is a weak inverse correlation between the longest C-O bond in the coordinating organic anion and the shortest Li-O bond in LCP coordination spheres, with exceptions from hydrogen bonding, high ECoN, or non-shortest Li-O contacts.
Caveat: Correlation described as weak by the authors and based on selected LCP structural data.
p009 · 4. Conclusions · Fig. 1; Fig. S9 · Linked to 4 structured results
Despite low optical band edges and 1D pi-stacking in the anthraquinone-based LCPs, compounds 1-6 are electronic insulators.
Caveat: Conductivity values are qualitative in this article; no numeric conductivity or device geometry is reported.
p009 · 4. Conclusions · Linked to 8 structured results
The lack of electronic conductivity is rationalised by restricted pi-orbital delocalisation in aq-based LCPs compared with known semiconducting hybrid materials.
Caveat: Mechanistic rationalisation based on bond-order analysis and comparison, not direct charge-transport modelling.
p009 · 4. Conclusions · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| Compound 1, [Li2(23dcaq)(H2O)] | [Li2(23dcaq)(H2O)]; asymmetric unit Li2C16H8O7Li-O coordination polyhedra; Li1-Li2-Li2-Li1 tetramers · 23dcaq2-, 2,3-dicarboxyanthraquinone dianion | 2D · PristineP21/c; I0O2 dimensionality; inorganic moiety extends across bc plane | p005 · 3.2 Carboxyanthraquinone frameworks · Fig. 2 |
| Compound 2, [Li(23dcaqH)] | [Li(23dcaqH)]; asymmetric unit LiC16H7O6Isolated tetrahedral Li ions coordinated by carboxylate and keto groups · 23dcaqH-, monoprotonated 2,3-dicarboxyanthraquinone anion | 2D · PristineP21/c; I0O2 dimensionality; network extends across bc plane | p005 · 3.2 Carboxyanthraquinone frameworks · Fig. 3 |
| Compound 3, [Li2(15dhaq)(H2O)2] | [Li2(15dhaq)(H2O)2]; asymmetric unit LiC7H5O3LiO4 dimers between 15dhaq linkers · 15dhaq2-, 1,5-dihydroxyanthraquinone dianion | 1D · PristineP21/c; I0O1 dimensionality; ribbon-like chains | p006 · 3.3 Hydroxyanthraquinone frameworks · Fig. 4 |
| Compound 4, [Li2(14dhaq)(H2O)2] | [Li2(14dhaq)(H2O)2]; asymmetric unit LiC7H5O3LiO4 dimers between 14dhaq linkers · 14dhaq2-, 1,4-dihydroxyanthraquinone dianion | 1D · PristinePnma; I0O1 dimensionality; isostructural connectivity to compound 3 | p007 · 3.3 Hydroxyanthraquinone frameworks · Fig. 5 |
| Compound 5, [Li(14dhaqH)(H2O)] | [Li(14dhaqH)(H2O)]; asymmetric unit LiC14H9O5LiO5 coordination environments forming inorganic chains · 14dhaqH-, monoprotonated 1,4-dihydroxyanthraquinone anion | 1D · PristineP212121; I1O0 dimensionality; anthraquinone molecules connected by Li ion chains | p007 · 3.3 Hydroxyanthraquinone frameworks · Fig. 6 |
| Compound 6, [Li(14hnaq)(H2O)] | [Li(14hnaq)(H2O)]; asymmetric unit LiC14H8O6NLiO4 chains along the a axis · 14hnaq-, 1-hydroxy-4-nitroanthraquinone anion | 1D · PristineP212121; I1O0 dimensionality; isostructural connectivity to compound 5 | p008 · 3.3 Hydroxyanthraquinone frameworks · Fig. 7 |
| Compound 7, [Li2(15dhaq)(H2O)5] | [Li2(15dhaq)(H2O)5]; CIF formula C14H16Li2O9Molecular Li coordination units with coordinated and non-coordinated water · 15dhaq2-, 1,5-dihydroxyanthraquinone dianion | 0D · PristineP-1; I0O0 dimensionality; molecular complex | p017 · 9. Additional compound · Fig. S12 |
| Anhydrous lithium formate, [Li(HCO2)] | [Li(HCO2)]; CIF formula C4H4Li4O8 for crystallographic cellLi-O formate framework · Formate | 3D · PristineC2/c; I3O0 dimensionality in Table S4 | p004 · 2.1 Synthesis |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Compound 1 pale yellow platesresearch_0850__mat__mat_1_li2_23dcaq_h2o | Single Crystal · Target Sample · Pristine Framework | Recovered crystals; PXRD samples prepared by gently grinding crystals for 30 s | p003 · 2.1 Synthesis |
| Compound 2 pale yellow blocksresearch_0850__mat__mat_2_li_23dcaqH | Single Crystal · Target Sample · Pristine Framework | Recovered crystals; PXRD samples prepared by gently grinding crystals for 30 s | p003 · 2.1 Synthesis |
| Compound 3 dark green hexagonal crystalsresearch_0850__mat__mat_3_li2_15dhaq_h2o2 | Single Crystal · Target Sample · Pristine Framework | Recovered crystals; PXRD samples prepared by gently grinding crystals for 30 s | p003 · 2.1 Synthesis |
| Compounds 3-6 hydroxy-aq LCP diffuse-reflectance groupresearch_0850__mat__mat_3_li2_15dhaq_h2o2 | Powder · Paper Level Unspecified · Unknown | Powders diluted to 5-20 wt% with dry BaSO4 for diffuse reflectance | p002 · Other analyses · Fig. S11 |
| Compound 4 dark orange hexagonal crystalsresearch_0850__mat__mat_4_li2_14dhaq_h2o2 | Single Crystal · Target Sample · Pristine Framework | Recovered crystals; PXRD samples prepared by gently grinding crystals for 30 s | p003 · 2.1 Synthesis |
| Compound 5 blackish-red needlesresearch_0850__mat__mat_5_li_14dhaqH_h2o | Single Crystal · Target Sample · Pristine Framework | Recovered crystals; PXRD samples prepared by gently grinding crystals for 30 s | p003 · 2.1 Synthesis |
| Compound 6 clear deep-red needlesresearch_0850__mat__mat_6_li_14hnaq_h2o | Single Crystal · Target Sample · Pristine Framework | Recovered crystals; PXRD samples prepared by gently grinding crystals for 30 s | p003 · 2.1 Synthesis |
| Compound 7 red plate-like crystalsresearch_0850__mat__mat_7_li2_15dhaq_h2o5 | Single Crystal · Target Sample · Pristine Framework | Recovered by reduced-pressure filtration, ethanol rinse, dried in air | p017 · 9. Additional compound |
| Anhydrous lithium formate rod-like crystalsresearch_0850__mat__mat_liformate_anhydrous | Single Crystal · Model System · Pristine Framework | Recovered from solvothermal DMF/imidazole synthesis0.1-1 mm | p004 · 2.1 Synthesis |