Structural, Thermodynamic, and Spectroscopic Evolution in the Hydration of Copper(II) Ions, Cu 2+ (H 2 O) 2-8

Gas-phase clusters of the hydrated Cu(II) cation with 2-8 water molecules were investigated using ab initio quantum chemistry. Isomer structures, energies, and vibrational spectra were computed across this size range, yielding a qualitative picture of this ion as an intact Cu hydrate that also parti...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2023-08, Vol.127 (32), p.6660-6676
Hauptverfasser:	Christensen, Elizabeth G, Steele, Ryan P
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Physics
Online-Zugang:	Volltext
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