NCl3

Nitrogen trichloride · trichloramine

Nitrogen trichloride is a volatile and highly reactive nitrogen-chlorine compound often utilized in specialized industrial chlorination processes.

ClN
Crystal structure of NCl3
Ground-state structure · Materials Project
Overview

About Nitrogen trichloride

Nitrogen trichloride is a highly reactive inorganic compound characterized by its distinct electronic properties. As a semiconducting material that sits above the thermodynamic hull, it is known for its inherent instability and tendency to decompose under various conditions.

Due to its high reactivity, this compound is primarily utilized in specialized chemical synthesis and industrial chlorination processes. Its unique bonding structure makes it a subject of significant interest in fundamental chemical research despite the challenges associated with its handling.

At a glance

Key Properties

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

Band Gap

2.18 eV
Range across DFT structures

Energy Above Hull

0.508 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

15
3 databases, 7 space groups
Uses

Applications

Where Nitrogen trichloride is used.

Chemical synthesisIndustrial chlorinationBleaching agent research
Reference

Frequently Asked Questions

Common questions about Nitrogen trichloride, answered from cross-validated data.

What is NCl3?

Nitrogen trichloride is a volatile and highly reactive nitrogen-chlorine compound often utilized in specialized industrial chlorination processes.

More questions
What is NCl3 used for?
Nitrogen trichloride (NCl3) is used in chemical synthesis, industrial chlorination, and bleaching agent research.
What is the band gap of NCl3?
Nitrogen trichloride (NCl3) has a DFT-computed band gap of 2.18 eV across 15 reported structures.
Is NCl3 a metal, semiconductor, or insulator?
With a band gap up to 2.18 eV it is a semiconductor.
Is NCl3 thermodynamically stable?
Nitrogen trichloride (NCl3) has a lowest energy above hull of 0.508 eV/atom (above hull).
How many polymorphs of NCl3 are known?
15 structures of NCl3 are reported across 3 databases, spanning 7 distinct space groups.
What elements does NCl3 contain?
Nitrogen trichloride (NCl3) contains Cl and N (2 elements).
Where does the data for NCl3 come from?
NCl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone compound in this context, nitrogen trichloride represents a distinct class of nitrogen-halogen species that are defined by their high energy states and significant reactivity compared to more inert, stable inorganic solids.

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

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