Inorganic Chemistry
Inorganic Chemistry
5 years ago

Coordination and Thermodynamics of Trivalent Curium with Malonate at Increased Temperatures: A Spectroscopic and Quantum Chemical Study

Coordination and Thermodynamics of Trivalent Curium with Malonate at Increased Temperatures: A Spectroscopic and Quantum Chemical Study
Petra J. Panak, Daniel R. Fröhlich, Michael Trumm, Andrej Skerencak-Frech
The complexation of Cm(III) with malonate is studied by time-resolved laser fluorescence spectroscopy and DFT calculations, yielding thermodynamic data (log K°n(T), ΔrH°m, ΔrS°m) as well as structural information (binding energies and distances). The results show the impact of structural properties of the ligand on its coordination mode on the molecular level, affecting the thermodynamics of complexation on the macroscopic scale.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b00694

DOI: 10.1021/acs.inorgchem.7b00694

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