MoCl3
molybdenum trichloride · molybdenum(III) chloride
Molybdenum trichloride is a metastable, semiconducting compound composed of molybdenum and chlorine used in specialized chemical synthesis.
About molybdenum trichloride
Molybdenum trichloride is a semiconducting inorganic compound that exists in a metastable state. Its unique electronic configuration makes it a subject of significant interest for researchers investigating the behavior of transition metal halides under various synthetic conditions.
Due to its structural complexity, this compound has been extensively cataloged across multiple databases. It serves as a critical building block in the synthesis of more complex molybdenum-based materials and provides insights into the coordination chemistry of molybdenum in its trivalent state.
Key Properties
Cross-validated computational properties for molybdenum trichloride, 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.
Applications
Where molybdenum trichloride is used.
Frequently Asked Questions
Common questions about molybdenum trichloride, answered from cross-validated data.
What is MoCl3?
Molybdenum trichloride is a metastable, semiconducting compound composed of molybdenum and chlorine used in specialized chemical synthesis.
What is MoCl3 used for?
What is the band gap of MoCl3?
Is MoCl3 a metal, semiconductor, or insulator?
Is MoCl3 thermodynamically stable?
How many polymorphs of MoCl3 are known?
What elements does MoCl3 contain?
Where does the data for MoCl3 come from?
How It Compares
As a standalone transition metal halide in this context, molybdenum trichloride represents a fundamental example of metastable semiconducting behavior, serving as a benchmark for understanding how metal-halogen bonding influences electronic properties in the absence of more complex structural motifs.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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