H2C

Methylene · Carbene, Methylidene

Methylene is a highly reactive and unstable chemical intermediate consisting of a carbon atom bonded to two hydrogen atoms.

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Crystal structure of H2C (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About Methylene

Methylene is a highly reactive, metastable species consisting of a single carbon atom bonded to two hydrogen atoms. Due to its electronic configuration, it acts as a transient intermediate rather than a stable bulk material, making it a subject of intense study in fundamental chemical kinetics and molecular physics. Its insulating electronic character reflects its nature as a discrete molecular entity rather than an extended solid-state lattice. Because it is inherently unstable, it is typically generated in situ during chemical reactions rather than isolated as a traditional crystalline material. Its significance lies in its ability to facilitate complex bond-forming processes, serving as a critical building block in organic synthesis and combustion chemistry.

At a glance

Key Properties

Cross-validated computational properties for Methylene, aggregated across 4 databases.

Band Gap

6.48 eV
Range across DFT structures

Energy Above Hull

0.035 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

466
4 databases, 50 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for H2C, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic6.480.0347-5.7971.04
P-3m1 (No. 164)Trigonal1.40
P21/c (No. 14)
Pnma (No. 62)
P1 (No. 1)Triclinic1.85
Pnma (No. 62)
Cm (No. 8)Monoclinic2.65
P-1 (No. 2)Triclinic2.13
Immm (No. 71)Orthorhombic1.96
Cm (No. 8)Monoclinic1.72
Cm (No. 8)Monoclinic1.77
P-3m1 (No. 164)Trigonal1.55
Uses

Applications

Where Methylene is used.

Organic synthesisChemical vapor depositionCombustion researchPhotochemical reactions
Reference

Frequently Asked Questions

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

What is H2C?

Methylene is a highly reactive and unstable chemical intermediate consisting of a carbon atom bonded to two hydrogen atoms.

More questions
What is H2C used for?
Methylene (H2C) is used in organic synthesis, chemical vapor deposition, combustion research, and photochemical reactions.
What is the band gap of H2C?
Methylene (H2C) has a DFT-computed band gap of 6.48 eV across 466 reported structures.
Is H2C a metal, semiconductor, or insulator?
With a wide band gap up to 6.48 eV it is an insulator / wide-band-gap material.
Is H2C thermodynamically stable?
Methylene (H2C) has a lowest energy above hull of 0.035 eV/atom (metastable).
What is the crystal structure of H2C?
The lowest-energy reported polymorph of Methylene (H2C) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of H2C?
The computed density of the ground-state structure of Methylene (H2C) is 1.04 g/cm³.
How many polymorphs of H2C are known?
466 structures of H2C are reported across 4 databases, spanning 50 distinct space groups.
What elements does H2C contain?
Methylene (H2C) contains C and H (2 elements).
Where does the data for H2C come from?
H2C data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a fundamental carbene, methylene serves as the prototypical member of its class, defining the reactivity patterns for more complex substituted derivatives. Unlike stable, bulk-phase hydrocarbons, its metastability dictates that it must be handled as a fleeting, high-energy intermediate in specialized laboratory environments.

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).

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