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Relationship of the Frequency of Symmetric Stretching Vibration of the Bond of Metal Ions of II-IV Periods with Water Molecules and Thermodynamic Functions of Aquaion Formation
Abstract
Using the density functional theory method in the approximation of M062x/6-311+G(d,p), the calculation was performed of the optimal geometry and Raman spectra of metal aquacomplexes of periods II-IV [M(H2O)6]n+ (Mn+ = Na+ , Be2+ , Mg2+ , Al3+ , Ca2+ , Sc2+ , Ti3+ , V2+ , V3+ , Cr3+ , Mn2+ , Fe2+ , Fe3+ , Co2+ , Co3+ , Ni2+ , Cu2+ , Zn2+ , Ga3+ и Li+ (m = 4)). Correlation dependences of the frequency of the symmetric stretching vibration of the bond of a metal ion with water molecules and the thermodynamic functions of the formation of aquaions are proposed.
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For citations:
Mikhailov G.P. Relationship of the Frequency of Symmetric Stretching Vibration of the Bond of Metal Ions of II-IV Periods with Water Molecules and Thermodynamic Functions of Aquaion Formation. Zhurnal Prikladnoii Spektroskopii. 2021;88(5):689-693. (In Russ.)
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