Platinum(II) Diaquadiammine Complexes. Stable Hydrolysis Products by DFT Quantum-Chemical Calculations |
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| Authors: | Panina N. S. Belyaev A. N. Simanova S. A. |
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| Affiliation: | (1) St. Petersburg State Institute of Technology, St. Petersburg, Russia |
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| Abstract: | The most stable hydrolysis products of cis-[Pt(NH3)2(H2O)2]2+ were revealed by means of DFT quantum-chemical calculations of this complex and its deprotonated forms with full geometry optimization. The resulting force fields and normal mode vibrations were used to calculate thermodynamic characteristics for possible hydrolysis stages and equilibrium constants for proton-transfer processes in the gas phase and in aqueous solutions. The hydroxo-bridged dimers [Pt(NH3)2( -OH)]22+ with short Pt+++Pt distances are the hydrolysis products of platinum(II) cis-diaquadiamminates in the aqueous medium. |
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