Research Article
Theoretical Study on Solubility from Pt Electrocatalyst and Reactivity in Electrolyte Environment of Pt Complex in PEFC
Table 8
Reaction energy () for Pt(II) complexes with various dielectric constants. Unit is kJ/mol.
| | 5.0 | 20.0 | 61.0 |
| Proton addition reaction | | | | () [Pt(H2O)3(OH)]+ + H3O+ → () [Pt(H2O)4]2+ + H2O | 29.3 | −21.8 | −29.3 | () [Pt(H2O)2(OH)2] + H3O+ → () [Pt(H2O)3(OH)]+ + H2O | −123.0 | −92.9 | −90.4 | () [Pt(H2O)(OH)3]− + H3O+ → () [Pt(H2O)2(OH)2] + H2O | −296.3 | −179.5 | −147.3 | () [Pt(OH)4]2− + H3O+ → () [Pt(H2O)(OH)3]− + H2O | −426.5 | −221.4 | −181.2 | () [Pt(H2O)2(OH)(CF3SO3)] + H3O+ → () [Pt(H2O)3(CF3SO3)]+ + H2O | −82.4 | −50.2 | −59.4 | H2O/ substitution reaction | | | | () [Pt(H2O)4]2+ + → () [Pt(H2O)3(CF3SO3)]+ + H2O | −209.3 | −59.0 | −33.1 | () [Pt(H2O)3(CF3SO3)]+ + → () [Pt(H2O)2(CF3SO3)2] + H2O | −119.7 | −33.9 | −5.9 | () [Pt(H2O)3(OH)]+ + → () [Pt(H2O)2(OH)(CF3SO3)] + H2O | −97.5 | −30.6 | −2.9 | OH− / substitution reaction | | | | () [Pt(H2O)3(OH)]+ + → () [Pt(H2O)3(CF3SO3)]+ + OH− | 324.3 | 277.0 | 259.9 | () [Pt(H2O)2(OH)2] + → () [Pt(H2O)2(OH)(CF3SO3)] + OH− | 284.2 | 234.8 | 228.9 | () [Pt(H2O)2(OH)(CF3SO3)] + → () [Pt(H2O)2(CF3SO3)2] + OH− | 302.2 | 274.1 | 269.1 |
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