C12H4Cl4O8

C12H4Cl4O8 is a semiconducting organic compound that exists in a metastable state and is primarily utilized in advanced materials research.

CClHO
Crystal structure of C12H4Cl4O8
Ground-state structure · Materials Project
Overview

About C12H4Cl4O8

C12H4Cl4O8 is a complex organic compound characterized by its semiconducting electronic nature. Its molecular architecture, defined by a specific arrangement of carbon, chlorine, hydrogen, and oxygen, suggests a niche role in specialized chemical synthesis and molecular electronics research.

As a material currently identified as residing above the thermodynamic hull, this compound is considered metastable. Its existence across multiple reported structures highlights its scientific interest despite the challenges associated with its synthesis and long-term stability in ambient conditions.

At a glance

Key Properties

Cross-validated computational properties for C12H4Cl4O8, aggregated across 3 databases.

Band Gap

1.16 eV
Range across DFT structures

Energy Above Hull

0.218 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where C12H4Cl4O8 is used.

Molecular electronics researchOrganic semiconductor developmentChemical synthesis studies
Reference

Frequently Asked Questions

Common questions about C12H4Cl4O8, answered from cross-validated data.

What is C12H4Cl4O8?

C12H4Cl4O8 is a semiconducting organic compound that exists in a metastable state and is primarily utilized in advanced materials research.

More questions
What is C12H4Cl4O8 used for?
C12H4Cl4O8 is used in molecular electronics research, organic semiconductor development, and chemical synthesis studies.
What is the band gap of C12H4Cl4O8?
C12H4Cl4O8 has a DFT-computed band gap of 1.16 eV across 3 reported structures.
Is C12H4Cl4O8 a metal, semiconductor, or insulator?
With a band gap up to 1.16 eV it is a semiconductor.
Is C12H4Cl4O8 thermodynamically stable?
C12H4Cl4O8 has a lowest energy above hull of 0.218 eV/atom (above hull).
How many polymorphs of C12H4Cl4O8 are known?
3 structures of C12H4Cl4O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C12H4Cl4O8 contain?
C12H4Cl4O8 contains C, Cl, H, and O (4 elements).
Where does the data for C12H4Cl4O8 come from?
C12H4Cl4O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular entry in this dataset, C12H4Cl4O8 serves as a primary reference point for studying chlorinated organic semiconductors. Its unique composition provides a baseline for evaluating how halogen substitution influences the electronic and structural stability of similar complex organic molecules.

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

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