PdCl2
Palladium(II) chloride · Palladous chloride
Palladium(II) chloride is a versatile inorganic compound that serves as a primary starting material for the synthesis of various palladium-based catalysts. It is widely employed in industrial chemical processes to facilitate complex organic transformations and carbon-carbon bond formations.
Key Properties
Cross-validated computational properties for Palladium(II) chloride, 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 PdCl2, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.56 | 0.0000 | -12.342 | 3.98 |
| P21/c (No. 14) | monoclinic | 0.88 | 0.0025 | -12.339 | 4.27 |
| P2/m (No. 10) | monoclinic | 1.10 | 0.0301 | -12.312 | 3.32 |
| Pnnm (No. 58) | orthorhombic | 0.92 | 0.0323 | -12.309 | 3.98 |
| P-1 (No. 2) | triclinic | 0.00 | 0.2828 | -12.059 | 2.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.43 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.95 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.10 |
| P1 (No. 1) | Triclinic | — | — | — | 6.68 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.31 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.51 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.52 |
Applications
Where Palladium(II) chloride is used.
Frequently Asked Questions
Common questions about Palladium(II) chloride, answered from cross-validated data.
What is PdCl2?
Palladium(II) chloride is a versatile inorganic compound that serves as a primary starting material for the synthesis of various palladium-based catalysts. It is widely employed in industrial chemical processes to facilitate complex organic transformations and carbon-carbon bond formations.
What is PdCl2 used for?
What is the band gap of PdCl2?
Is PdCl2 a metal, semiconductor, or insulator?
Is PdCl2 thermodynamically stable?
What is the crystal structure of PdCl2?
What is the density of PdCl2?
How many polymorphs of PdCl2 are known?
What elements does PdCl2 contain?
Where does the data for PdCl2 come from?
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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