CI4

Carbon tetraiodide · Tetraiodomethane

Carbon tetraiodide is a reactive, semiconducting carbon-iodine compound primarily used as a reagent in organic synthesis.

CI
Crystal structure of CI4
Ground-state structure · Materials Project
Overview

About Carbon tetraiodide

Carbon tetraiodide is a molecular compound consisting of a central carbon atom bonded to four iodine atoms. It is recognized for its semiconducting electronic character and is frequently utilized as a specialized reagent in organic chemical synthesis, particularly in Appel-type reactions for converting alcohols to iodides.

Due to its chemical nature, this compound is considered thermodynamically unstable relative to its constituent elements. Despite this, it remains a subject of significant interest in materials science, with numerous reported structural configurations documented across various databases.

At a glance

Key Properties

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

Band Gap

1.12 eV
Range across DFT structures

Energy Above Hull

0.229 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

14
3 databases, 4 space groups
Uses

Applications

Where Carbon tetraiodide is used.

Organic synthesisAppel reaction reagentIodination agent
Reference

Frequently Asked Questions

Common questions about Carbon tetraiodide, answered from cross-validated data.

What is CI4?

Carbon tetraiodide is a reactive, semiconducting carbon-iodine compound primarily used as a reagent in organic synthesis.

More questions
What is CI4 used for?
Carbon tetraiodide (CI4) is used in organic synthesis, appel reaction reagent, and iodination agent.
What is the band gap of CI4?
Carbon tetraiodide (CI4) has a DFT-computed band gap of 1.12 eV across 14 reported structures.
Is CI4 a metal, semiconductor, or insulator?
With a band gap up to 1.12 eV it is a semiconductor.
Is CI4 thermodynamically stable?
Carbon tetraiodide (CI4) has a lowest energy above hull of 0.229 eV/atom (above hull).
How many polymorphs of CI4 are known?
14 structures of CI4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does CI4 contain?
Carbon tetraiodide (CI4) contains C and I (2 elements).
Where does the data for CI4 come from?
CI4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique halogenated carbon derivative, carbon tetraiodide serves as a distinct member of the carbon-halide family. It functions as a specialized chemical reagent, differing from more common, highly stable carbon-halogen compounds by its increased reactivity and specific utility in synthetic organic chemistry.

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

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