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| Titel: |
A quantum chemical consideration of ligand exchange in palladium(ii) aqueous and chloride complexes |
| Auteur: |
Pankratov, Alexei N. Borodulin, Vladimir B. Chaplygina, Olga A. |
| Verschenen in: |
Journal of coordination chemistry |
| Paginering: | Jaargang 57 (2004) nr. 10 pagina's 833-842 |
| Jaar: |
2004-07-10 |
| Inhoud: |
The behavior of potassium tetrachloropalladate(II) in media simulating biological fluids has been studied. In aqueous solutions of NaCl, the aquation rate is higher than the rate of chloro ligand introduction into the internal coordination sphere of palladium. In HCl solutions, on the contrary, the process of palladium chloro complex formation predominates. The latter is apparently due to protonation of water molecules composing aqua complexes. By means of the ZINDO/1 method, the substitution of ligands - water molecules and hydronium ion - in planar complexes of palladium(II) by chloride ion has been investigated. All complexes containing H2O and H3O+ ligands, other than [Pd(H2O)4]2+, have intramolecular hydrogen bonds. In [Pd(H2O)3(H3O)]3+ and trans-[Pd(H2O)2(H3O)Cl]2+, a “non-classic” symmetric hydrogen bond O ··· H ··· O is established (ZINDO/1, RHF/STO-6G*). By the first three steps the substitution of hydronium ion in the internal sphere of palladium atom is more favorable thermodynamically, compared to water molecules. Logarithms of stepwise stability constants of palladium(II) chloride complexes correlate linearly to enthalpies (ZINDO/1, PM3) of water substitution by chloride ion. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 7 van 86 gevonden artikelen
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