ReCl3
Rhenium(III) chloride · Rhenium trichloride
Rhenium(III) chloride is a dark-colored inorganic compound that serves as a vital precursor in the synthesis of various organometallic rhenium complexes. It is primarily utilized in chemical research and industrial catalysis to facilitate the creation of specialized metal-containing materials.
Key Properties
Cross-validated computational properties for Rhenium(III) chloride, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for ReCl3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.97 | 0.0000 | -18.488 | 4.41 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.54 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.45 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.85 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.12 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.90 |
| P1 (No. 1) | Triclinic | — | — | — | 7.74 |
| P1 (No. 1) | Triclinic | — | — | — | 5.23 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.99 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.33 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.84 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 7.23 |
Applications
Where Rhenium(III) chloride is used.
Frequently Asked Questions
Common questions about Rhenium(III) chloride, answered from cross-validated data.
What is ReCl3?
Rhenium(III) chloride is a dark-colored inorganic compound that serves as a vital precursor in the synthesis of various organometallic rhenium complexes. It is primarily utilized in chemical research and industrial catalysis to facilitate the creation of specialized metal-containing materials.
What is ReCl3 used for?
What is the band gap of ReCl3?
Is ReCl3 a metal, semiconductor, or insulator?
Is ReCl3 thermodynamically stable?
What is the crystal structure of ReCl3?
What is the density of ReCl3?
How many polymorphs of ReCl3 are known?
What elements does ReCl3 contain?
Where does the data for ReCl3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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