HCO
HCO is a highly reactive and unstable radical intermediate that plays a vital role in atmospheric and combustion chemistry.
About HCO
The HCO molecule is a transient radical species characterized by its insulating electronic nature. Due to its significant energy position relative to the ground state, it is considered a highly reactive and unstable chemical entity that exists primarily as a fleeting intermediate in complex reaction environments. Its structural complexity is evidenced by the numerous configurations documented across various chemical databases, reflecting its dynamic role in molecular science. This compound is of particular interest in atmospheric chemistry and combustion research, where its formation and subsequent decay pathways dictate the kinetics of broader chemical systems. By serving as a critical bridge in radical-mediated reactions, it provides essential insights into the fundamental behavior of small carbon-based molecules under extreme conditions.
Key Properties
Cross-validated computational properties for HCO, aggregated across 4 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 HCO, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 4.33 | 0.2064 | -6.734 | 1.46 |
| Pm (No. 6) | monoclinic | 2.83 | 0.2533 | -7.277 | 1.51 |
| P21/m (No. 11) | monoclinic | 2.89 | 0.2856 | -7.245 | 1.45 |
| Cm (No. 8) | monoclinic | 2.85 | 0.2878 | -7.243 | 1.50 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.30 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.49 |
| No. 0 | unknown | — | — | — | 0.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.68 |
| No. 0 | unknown | — | — | — | 0.83 |
| No. 0 | unknown | — | — | — | 0.44 |
| No. 0 | unknown | — | — | — | 0.40 |
Applications
Where HCO is used.
Frequently Asked Questions
Common questions about HCO, answered from cross-validated data.
What is HCO?
HCO is a highly reactive and unstable radical intermediate that plays a vital role in atmospheric and combustion chemistry.
What is HCO used for?
What is the band gap of HCO?
Is HCO a metal, semiconductor, or insulator?
Is HCO thermodynamically stable?
What is the crystal structure of HCO?
What is the density of HCO?
How many polymorphs of HCO are known?
What elements does HCO contain?
Where does the data for HCO come from?
How It Compares
As a unique radical species, HCO stands apart from more stable, bulk-phase inorganic compounds, functioning primarily as a reactive intermediate rather than a structural building block in solid-state materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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