MoCl4O
MoCl4O is a semiconducting molybdenum oxychloride used primarily as a specialized chemical reagent in inorganic synthesis.
About MoCl4O
MoCl4O is a semiconducting molybdenum oxychloride compound characterized by a complex arrangement of chlorine and oxygen atoms around the central metal center. Its electronic properties and chemical composition make it a subject of interest for researchers studying transition metal halides and oxides. Because it exists above the thermodynamic hull, this compound is considered metastable, requiring specific conditions for synthesis and handling in laboratory environments. It serves as a precursor or reagent in the synthesis of more complex inorganic frameworks and specialized molybdenum-based materials. Its structural diversity is evidenced by multiple reported configurations across various materials databases, highlighting its significance in fundamental solid-state chemistry research.
Key Properties
Cross-validated computational properties for MoCl4O, 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 MoCl4O is used.
Frequently Asked Questions
Common questions about MoCl4O, answered from cross-validated data.
What is MoCl4O?
MoCl4O is a semiconducting molybdenum oxychloride used primarily as a specialized chemical reagent in inorganic synthesis.
What is MoCl4O used for?
What is the band gap of MoCl4O?
Is MoCl4O a metal, semiconductor, or insulator?
Is MoCl4O thermodynamically stable?
How many polymorphs of MoCl4O are known?
What elements does MoCl4O contain?
Where does the data for MoCl4O come from?
How It Compares
As a unique molybdenum-based oxychloride, MoCl4O occupies a distinct niche in inorganic chemistry. Unlike more common binary molybdenum halides, this compound incorporates oxygen into its coordination sphere, which significantly alters its electronic and structural behavior compared to simpler transition metal salts.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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