C14H8O2
Anthraquinone · 9,10-anthracenedione
Anthraquinone is a versatile organic compound widely utilized as a foundational intermediate in the production of dyes and various chemical products.
About Anthraquinone
Anthraquinone is a polycyclic aromatic hydrocarbon derivative that serves as a fundamental building block in organic chemistry. Its semiconducting electronic nature makes it a subject of interest for specialized material science applications beyond its traditional role in industrial manufacturing.
While the compound is often found in various structural configurations, it remains a cornerstone for the synthesis of complex pigments and dyes. Its chemical versatility allows it to participate in diverse redox reactions, which is essential for its utility in large-scale chemical processing and catalytic cycles.
Key Properties
Cross-validated computational properties for Anthraquinone, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for C14H8O2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.05 | 0.2077 | -7.094 | 1.30 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.36 |
Applications
Where Anthraquinone is used.
Frequently Asked Questions
Common questions about Anthraquinone, answered from cross-validated data.
What is C14H8O2?
Anthraquinone is a versatile organic compound widely utilized as a foundational intermediate in the production of dyes and various chemical products.
What is C14H8O2 used for?
What is the band gap of C14H8O2?
Is C14H8O2 a metal, semiconductor, or insulator?
Is C14H8O2 thermodynamically stable?
What is the crystal structure of C14H8O2?
What is the density of C14H8O2?
How many polymorphs of C14H8O2 are known?
What elements does C14H8O2 contain?
Where does the data for C14H8O2 come from?
How It Compares
As a prominent member of the quinone family, this compound is distinguished by its robust aromatic structure compared to simpler, less stable organic molecules. It occupies a unique position in material research due to its well-documented structural diversity and its established role as a precursor in synthetic organic chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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