Li K., Xu Z., Xu H. et al. · Chemistry of Materials · 2005 · 4426-4437
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 authors describe the bismuth-halide/triphenylene coordination compounds as semiconductive hybrid networks with promising solution processing properties.
Caveat: Semiconductivity is inferred from optical band gaps; no direct electrical transport measurement is reported.
1 · Abstract · Linked to 8 structured results
HMTT.BiCl3, HMTT.BiBr3, and HETT.2BiBr3 can be deposited as crystalline single-phase samples from heated aromatic solutions onto quartz disks.
Caveat: HMTT.2BiBr3 could not be solution-deposited under tested DCB conditions; compound 2 formed instead.
12 · Solution Processing · Figures 12 and 13 · Linked to 3 structured results
The paper does not report direct electrical conductivity, mobility, thermoelectric, porosity, electrochemical, or device measurements; conductance and charge-carrier mobility tests are described as ongoing/future work.
11 · Structure-Property Relations
For isostructural HMTT.BiBr3 and HMTT.BiCl3, the bromide compound has a smaller band gap, attributed to the heavier/softer bromine component.
Caveat: Attribution is interpretive; no electronic-structure calculation or direct transport measurement is reported.
11 · Structure-Property Relations · Linked to 2 structured results
Optical band gap decreases as the hybrid coordination network dimensionality increases, with the 2D HMTT.2BiBr3 network showing the smallest reported band gap.
Caveat: Dimensionality categories are partly comparative for flexible Bi-X systems; authors note quasi-1D/1D distinctions can be fuzzy.
11 · Structure-Property Relations · Table 2 · Linked to 10 structured results
Bi-S and Bi-X coordination bonds are proposed as key determinants of solid-state electronic properties, more important here than pi-pi overlap alone.
Caveat: Mechanistic claim is based on correlations between crystal structures and optical band gaps, not on measured charge-transport pathways.
10 · Structure-Property Relations · Table 2 · Linked to 5 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| HMTT.BiCl3 (1) | HMTT.BiCl3; described as one BiCl3 unit and one HMTT molecule per asymmetric unitBi(III) chloride chains with Bi-S coordination to HMTT · 2,3,6,7,10,11-hexakis(methylthio)triphenylene (HMTT) | 1D · PristineP-1; one-dimensional BiCl3 chains embedded in an HMTT matrix | 6 · Single-Crystal Structure of HMTT.BiCl3 (1) · Figure 1, Figure 2, Table 2 |
| HMTT.BiBr3 (2) | C24H24BiBr3S6Bi(III) bromide chains with Bi-S coordination to HMTT · HMTT | 1D · PristineTriclinic P-1; isostructural with HMTT.BiCl3 (1) | 3 · Table 1 · Table 1 |
| HMTT.2BiBr3 (3) | C24H24Bi2Br6S6BiBr3 chains cross-linked by HMTT · HMTT | 2D · PristineTriclinic P-1; two-dimensional coordination network | 7 · Single-Crystal Structure of HMTT.2BiBr3 (3) · Figure 6, Table 2 |
| HETT.2BiBr3 (4) | C30H36Bi2Br6S6Quasi-1D BiBr3 coordination chains/fragments with Bi-S contacts · 2,3,6,7,10,11-hexakis(ethylthio)triphenylene (HETT) | 1D · PristineTriclinic P-1; quasi-1D network in the authors' comparative definition | 8 · Single-Crystal Structure of HETT.2BiBr3 (4) · Figure 9, Table 2 |
| HiPTT.2BiBr3.C7H8 (5) | C86H112Bi4Br12S12Isolated BiBr3 and Bi2Br6 fragments coordinated to HiPTT · 2,3,6,7,10,11-hexakis(isopropylthio)triphenylene (HiPTT) | 0D · PristineMonoclinic P21/c; isolated hybrid units with included toluene | 8 · Single-Crystal Structure of HiPTT.2BiBr3.C7H8 (5) · Figure 10, Table 2 |
| BiBr3 control | BiBr3Bi(III) bromide molecular/solid control · none | 0D · Model SystemCommercial inorganic halide control for diffuse reflectance | 7 · Supporting Information · Figure S13 |
| BiCl3 control | BiCl3Bi(III) chloride molecular/solid control · none | 0D · Model SystemCommercial inorganic halide control for diffuse reflectance | 7 · Supporting Information · Figure S13 |
| HETT ligand | C30H36S6none · HETT | 0D · Model SystemMolecular precursor/control | 4 · Experimental Section |
| HiPTT ligand | C36H48S6none · HiPTT | 0D · Model SystemMolecular precursor/control | 4 · Experimental Section |
| HMTT molecular crystal | C24H24S6none · HMTT | 0D · Model SystemOrganic molecular control; pi-stacked columns | 6 · Single-Crystal Structure of HMTT.BiCl3 (1) · Figure 3, Table 2 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| HMTT.BiCl3 (1) single-crystal structural sampleresearch_0752__mat__mat_1_hmtt_bicl3 | Single Crystal · Target Sample · Pristine Framework | Previously reported single-crystal structure reused for comparison | 6 · Single-Crystal Structure of HMTT.BiCl3 (1) · Figure 1 |
| HMTT.BiCl3 (1) solution-deposited crystallitesresearch_0752__mat__mat_1_hmtt_bicl3 | Thin Film · Target Sample · Pristine Framework | Drop-deposited from hot 1,2-dichlorobenzene solution onto a heated quartz diskquartz disk | 5 · Solution Deposition of HMTT.BiCl3 (1) · Figure 12 |
| HMTT.BiBr3 (2) bulk powder/crystallitesresearch_0752__mat__mat_2_hmtt_bibr3 | Powder · Target Sample · Pristine Framework | Single-phase bulk sample prepared by heating/cooling in DCB | 4 · Crystallization of HMTT.BiBr3 (2) · Figure S1 |
| HMTT.BiBr3 (2) single crystalresearch_0752__mat__mat_2_hmtt_bibr3 | Single Crystal · Target Sample · Pristine Framework | Dark-red blocklike crystal selected for single-crystal XRD | 4 · Crystallization of HMTT.BiBr3 (2) · Table 1 |
| HMTT.BiBr3 (2) solution-deposited crystallitesresearch_0752__mat__mat_2_hmtt_bibr3 | Thin Film · Target Sample · Pristine Framework | Dropped from hot DCB solution using the HMTT.BiCl3 deposition procedurequartz disk | 5 · Solution Deposition of HMTT.BiBr3 (2) · Figure S14 |
| HMTT.2BiBr3 (3) bulk powder/crystallitesresearch_0752__mat__mat_3_hmtt_2bibr3 | Powder · Target Sample · Pristine Framework | Single-phase bulk sample from sealed-tube benzene reaction | 4 · Crystallization of HMTT.2BiBr3 (3) · Figure S2 |
| HMTT.2BiBr3 (3) single crystalresearch_0752__mat__mat_3_hmtt_2bibr3 | Single Crystal · Target Sample · Pristine Framework | Dark red blocklike single crystals from sealed-tube benzene reaction | 4 · Crystallization of HMTT.2BiBr3 (3) · Table 1 |
| HETT.2BiBr3 (4) bulk powder/crystallitesresearch_0752__mat__mat_4_hett_2bibr3 | Powder · Target Sample · Pristine Framework | Single-phase bulk sample from closed pressure tube | 4 · Crystallization of HETT.2BiBr3 (4) · Figure S3 |
| HETT.2BiBr3 (4) single crystalresearch_0752__mat__mat_4_hett_2bibr3 | Single Crystal · Target Sample · Pristine Framework | Red platelike crystals from sealed-tube toluene reaction | 4 · Crystallization of HETT.2BiBr3 (4) · Table 1 |
| HETT.2BiBr3 (4) solution-deposited crystallitesresearch_0752__mat__mat_4_hett_2bibr3 | Thin Film · Target Sample · Pristine Framework | Deposited from hot benzene solution with solution and quartz disk at 90 Cquartz disk | 5 · Solution Deposition of HETT.2BiBr3 (4) · Figure 13 |
| HiPTT.2BiBr3.C7H8 (5) bulk powder/crystallitesresearch_0752__mat__mat_5_hiptt_2bibr3_c7h8 | Powder · Target Sample · Guest Loaded | Single-phase bulk sample from toluene under argon | 5 · Crystallization of HiPTT.2BiBr3.C7H8 (5) · Figure S4 |
| HiPTT.2BiBr3.C7H8 (5) single crystalresearch_0752__mat__mat_5_hiptt_2bibr3_c7h8 | Single Crystal · Target Sample · Guest Loaded | Orange-yellow blocklike single crystals with included toluene | 5 · Crystallization of HiPTT.2BiBr3.C7H8 (5) · Table 1 |
| BiBr3 diffuse-reflectance controlresearch_0752__mat__mat_bibr3_control | Powder · Pristine Control · Model | Solid sample for optical diffuse reflectanceapproximately 1 mm in diffuse-reflectance sample preparation | 7 · Supporting Information · Figure S13 |
| BiCl3 diffuse-reflectance controlresearch_0752__mat__mat_bicl3_control | Powder · Pristine Control · Model | Solid sample for optical diffuse reflectanceapproximately 1 mm in diffuse-reflectance sample preparation | 7 · Supporting Information · Figure S13 |
| HETT ligand productresearch_0752__mat__mat_hett_precursor | Powder · Model System · Model | Beige ligand product purified by silica gel column | 4 · 2,3,6,7,10,11-Hexakis(ethylthio)triphenylene (HETT) |
| HiPTT ligand productresearch_0752__mat__mat_hiptt_precursor | Powder · Model System · Model | Light yellow ligand product purified by silica gel column | 4 · 2,3,6,7,10,11-Hexakis(isopropylthio)triphenylene (HiPTT) |
| HMTT organic molecular controlresearch_0752__mat__mat_hmtt_control | Powder · Pristine Control · Model | Finely ground solid pressed between Mylar tapes for optical diffuse reflectanceapproximately 1 mm in diffuse-reflectance sample preparation | 10 · Structure-Property Relations · Figure 11, Table 2 |