C4Cl4F16I4

C4Cl4F16I4 is a complex, semiconducting polyhalogenated carbon compound characterized by its multiple halogen substituents and metastable nature.

CClFI
Crystal structure of C4Cl4F16I4
Ground-state structure · Materials Project
Overview

About C4Cl4F16I4

C4Cl4F16I4 is a highly complex polyhalogenated carbon compound containing chlorine, fluorine, and iodine. Due to the diverse electronegativities of its constituent halogens, it exhibits semiconducting electronic behavior, making it a subject of interest for specialized chemical research and structural analysis.

As a material that sits above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence in multiple reported structures across databases highlights its role as a niche candidate for investigating high-density halogen bonding and complex molecular packing arrangements.

At a glance

Key Properties

Cross-validated computational properties for C4Cl4F16I4, aggregated across 3 databases.

Band Gap

2.68 eV
Range across DFT structures

Energy Above Hull

0.135 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where C4Cl4F16I4 is used.

Chemical researchStructural analysisHalogen bonding studies
Reference

Frequently Asked Questions

Common questions about C4Cl4F16I4, answered from cross-validated data.

What is C4Cl4F16I4?

C4Cl4F16I4 is a complex, semiconducting polyhalogenated carbon compound characterized by its multiple halogen substituents and metastable nature.

More questions
What is C4Cl4F16I4 used for?
C4Cl4F16I4 is used in chemical research, structural analysis, and halogen bonding studies.
What is the band gap of C4Cl4F16I4?
C4Cl4F16I4 has a DFT-computed band gap of 2.68 eV across 3 reported structures.
Is C4Cl4F16I4 a metal, semiconductor, or insulator?
With a band gap up to 2.68 eV it is a semiconductor.
Is C4Cl4F16I4 thermodynamically stable?
C4Cl4F16I4 has a lowest energy above hull of 0.135 eV/atom (above hull).
How many polymorphs of C4Cl4F16I4 are known?
3 structures of C4Cl4F16I4 are reported across 3 databases, spanning 1 distinct space group.
What elements does C4Cl4F16I4 contain?
C4Cl4F16I4 contains C, Cl, F, and I (4 elements).
Where does the data for C4Cl4F16I4 come from?
C4Cl4F16I4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique polyhalogenated carbon species, this compound represents an outlier in chemical space, serving as a distinct example of how heavy halogen substitution influences molecular stability and electronic structure compared to simpler perfluorinated or perchlorinated carbon frameworks.

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

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