H2CO3

carbonic acid · dihydrogen carbonate

Carbonic acid is a transient, insulating chemical compound that serves as a crucial intermediate in the conversion of carbon dioxide into aqueous carbonate species.

CHO
Crystal structure of H2CO3
Ground-state structure · Materials Project
Overview

About carbonic acid

Carbonic acid is a fundamental chemical species formed through the hydration of carbon dioxide. As a wide-gap insulating material, it plays a critical role in maintaining the pH balance of natural waters and biological fluids through its reversible dissociation behavior.

Despite its transient nature in standard environments, the compound is considered thermodynamically near-hull, suggesting it is a viable target for synthesis under specific conditions. Its existence across multiple reported structural configurations highlights its importance in high-pressure research and fundamental molecular chemistry.

At a glance

Key Properties

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

Band Gap

5.90 eV
Range across DFT structures

Energy Above Hull

0.005 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where carbonic acid is used.

Biological pH bufferingAtmospheric carbon sequestration studiesGeochemical mineral weathering processesCarbonated beverage production
Reference

Frequently Asked Questions

Common questions about carbonic acid, answered from cross-validated data.

What is H2CO3?

Carbonic acid is a transient, insulating chemical compound that serves as a crucial intermediate in the conversion of carbon dioxide into aqueous carbonate species.

More questions
What is H2CO3 used for?
carbonic acid (H2CO3) is used in biological pH buffering, atmospheric carbon sequestration studies, geochemical mineral weathering processes, and carbonated beverage production.
What is the band gap of H2CO3?
carbonic acid (H2CO3) has a DFT-computed band gap of 5.90 eV across 5 reported structures.
Is H2CO3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.90 eV it is an insulator / wide-band-gap material.
Is H2CO3 thermodynamically stable?
carbonic acid (H2CO3) has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
How many polymorphs of H2CO3 are known?
5 structures of H2CO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does H2CO3 contain?
carbonic acid (H2CO3) contains C, H, and O (3 elements).
Where does the data for H2CO3 come from?
H2CO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique chemical entity, carbonic acid serves as the primary bridge between inorganic carbon dioxide and organic carbonates, functioning as a central component in the global carbon cycle without direct structural analogs in this specific class.

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

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