MoCl3O

MoCl3O is a metastable semiconducting molybdenum oxychloride used in specialized chemical research and synthesis.

ClMoO
Crystal structure of MoCl3O
Ground-state structure · Materials Project
Overview

About MoCl3O

MoCl3O is a molybdenum oxychloride characterized by its semiconducting electronic nature. As a metastable compound, it represents a specialized chemical species that requires specific conditions for synthesis and preservation, making it a subject of interest for researchers studying transition metal coordination chemistry.

Its structural diversity is highlighted by multiple reported configurations across various databases. This material serves as a building block in advanced chemical processes, where its unique bonding environment allows it to participate in specific catalytic or synthetic pathways.

At a glance

Key Properties

Cross-validated computational properties for MoCl3O, aggregated across 3 databases.

Band Gap

2.45 eV
Range across DFT structures

Energy Above Hull

0.083 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 1 space group
Uses

Applications

Where MoCl3O is used.

Chemical synthesisCatalytic researchInorganic materials development
Reference

Frequently Asked Questions

Common questions about MoCl3O, answered from cross-validated data.

What is MoCl3O?

MoCl3O is a metastable semiconducting molybdenum oxychloride used in specialized chemical research and synthesis.

More questions
What is MoCl3O used for?
MoCl3O is used in chemical synthesis, catalytic research, and inorganic materials development.
What is the band gap of MoCl3O?
MoCl3O has a DFT-computed band gap of 2.45 eV across 6 reported structures.
Is MoCl3O a metal, semiconductor, or insulator?
With a band gap up to 2.45 eV it is a semiconductor.
Is MoCl3O thermodynamically stable?
MoCl3O has a lowest energy above hull of 0.083 eV/atom (metastable).
How many polymorphs of MoCl3O are known?
6 structures of MoCl3O are reported across 3 databases, spanning 1 distinct space group.
What elements does MoCl3O contain?
MoCl3O contains Cl, Mo, and O (3 elements).
Where does the data for MoCl3O come from?
MoCl3O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct molybdenum oxychloride, MoCl3O occupies a unique niche in the landscape of inorganic halides and oxides. Without direct structural siblings in this specific class, it stands as a singular example of how molybdenum can balance halogen and oxygen coordination to achieve a semiconducting state.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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