CCl3

CCl3 is a stable, wide-band-gap insulating compound composed of carbon and chlorine that is frequently studied for its structural diversity.

CCl
Crystal structure of CCl3
Ground-state structure · Materials Project
Overview

About CCl3

CCl3 is a chemically significant carbon-chlorine compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide band gap, classifying it as an insulating material with distinct structural versatility.

With numerous reported structures across multiple databases, this compound serves as a foundational building block in synthetic chemistry. Its stability and insulating nature make it an essential subject for understanding carbon-halogen bonding environments and molecular assembly.

At a glance

Key Properties

Cross-validated computational properties for CCl3, aggregated across 3 databases.

Band Gap

1.75–4.71 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 10 space groups
Uses

Applications

Where CCl3 is used.

Chemical synthesisPrecursor for organic halogenated compoundsFundamental materials research
Intellectual Property

Patent Landscape

1 patent reference CCl3 or close compositional variants.

PatentTitleAssigneeGranted
4009215Preparation of CCl.sub.3 F and CCl.sub.2 F.sub.2 from fluorspar and CCl.sub .
Reference

Frequently Asked Questions

Common questions about CCl3, answered from cross-validated data.

What is CCl3?

CCl3 is a stable, wide-band-gap insulating compound composed of carbon and chlorine that is frequently studied for its structural diversity.

More questions
What is CCl3 used for?
CCl3 is used in chemical synthesis, precursor for organic halogenated compounds, and fundamental materials research.
What is the band gap of CCl3?
CCl3 has a DFT-computed band gap of 1.75–4.71 eV across 15 reported structures.
Is CCl3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.71 eV it is an insulator / wide-band-gap material.
Is CCl3 thermodynamically stable?
Yes — CCl3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CCl3 are known?
15 structures of CCl3 are reported across 3 databases, spanning 10 distinct space groups.
What elements does CCl3 contain?
CCl3 contains C and Cl (2 elements).
Where does the data for CCl3 come from?
CCl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique carbon-chlorine species, CCl3 occupies a distinct position in the landscape of halogenated carbon compounds, serving as a critical reference point for structural stability and electronic insulating behavior within its chemical family.

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

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