Research Article

Theoretical Study on Solubility from Pt Electrocatalyst and Reactivity in Electrolyte Environment of Pt Complex in PEFC

Table 7

PtO distance of three ligands (H2O, OH, and C F 3 S O 3 ) for selected Pt(IV) complexes.

Ligand5.0 20.0 61.0

( 𝟏 ) [Pt(H2O)6]4+H2O 2.064 2.064 2.064
( 𝟐 ) [Pt(H2O)5(OH)]3+H2O 2.092 2.090 2.088
OH1.990 1.992 1.994
( 𝟓 ) [Pt(H2O)2(OH)4] H2O 2.218 2.208 2.202
OH2.035 2.038 2.040
( 𝟔 ) [Pt(H2O)5(CF3SO3)]3+H2O 2.093 2.088 2.085
C F 3 S O 3 2.038 2.039 2.042
H2O 2.195 2.191 2.190
( 𝟏 𝟐 ) [Pt(H2O)2(OH)3(CF3SO3)]OH2.006 2.007 2.007
C F 3 S O 3 2.190 2.193 2.195