CrCl2

Chromium(II) chloride · Chromous chloride

Chromium(II) chloride is a metastable, semiconducting metal halide frequently utilized as a specialized reducing agent in chemical synthesis.

ClCr
Crystal structure of CrCl2
Ground-state structure · Materials Project
Overview

About Chromium(II) chloride

Chromium(II) chloride is a metal halide that functions as a semiconducting material. Its chemical behavior is defined by the oxidation state of the chromium center, which influences its reactivity and structural coordination in various environments. As a metastable compound, it serves as a critical reagent in organic synthesis and inorganic research. Its ability to participate in specific reduction reactions makes it a valuable tool for chemists working on complex molecular transformations.

At a glance

Key Properties

Cross-validated computational properties for Chromium(II) chloride, aggregated across 3 databases.

Band Gap

0.71 eV
Range across DFT structures

Energy Above Hull

0.070 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

63
3 databases, 18 space groups
Uses

Applications

Where Chromium(II) chloride is used.

Organic synthesisNozaki-Hiyama-Kishi reactionReducing agentCatalyst precursor
Reference

Frequently Asked Questions

Common questions about Chromium(II) chloride, answered from cross-validated data.

What is CrCl2?

Chromium(II) chloride is a metastable, semiconducting metal halide frequently utilized as a specialized reducing agent in chemical synthesis.

More questions
What is CrCl2 used for?
Chromium(II) chloride (CrCl2) is used in organic synthesis, nozaki-Hiyama-Kishi reaction, reducing agent, and catalyst precursor.
What is the band gap of CrCl2?
Chromium(II) chloride (CrCl2) has a DFT-computed band gap of 0.71 eV across 63 reported structures.
Is CrCl2 a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is CrCl2 thermodynamically stable?
Chromium(II) chloride (CrCl2) has a lowest energy above hull of 0.070 eV/atom (metastable).
How many polymorphs of CrCl2 are known?
63 structures of CrCl2 are reported across 3 databases, spanning 18 distinct space groups.
What elements does CrCl2 contain?
Chromium(II) chloride (CrCl2) contains Cl and Cr (2 elements).
Where does the data for CrCl2 come from?
CrCl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the transition metal halide family, this compound is notable for its distinct electronic character and its utility as a powerful reducing agent, occupying a specialized niche in synthetic inorganic chemistry compared to more inert or stable halide counterparts.

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

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