Palladium dichloride (PdCl₂) is an inorganic transition metal compound classified as a ceramic material, consisting of palladium bonded to chlorine. It is primarily used as a catalyst precursor and chemical reagent in laboratory and industrial synthesis rather than as a structural material, with notable applications in organic chemistry, pharmaceutical manufacturing, and cross-coupling reactions. Engineers and chemists select PdCl₂ for its catalytic activity in facilitating carbon-carbon bond formation (notably in Heck, Suzuki, and Sonogashira reactions) and its role as a starting material for generating active palladium catalysts, making it valuable in fine chemical and API (active pharmaceutical ingredient) production.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 3,727.5 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 87.20 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,888.4 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1535 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.5610 | eV | DFT · OptB88vdW | ||
| ↳ | 0.5020 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 9.855 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.527 | - | DFT · OptB88vdW | ||
| ↳ | 8.802 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.8867 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.727 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00140 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00112 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -219.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 285.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 15.42 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.03420 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -0.4489 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -0.5984 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data