Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study

The geometry, energy and electron density properties of the 1:1, 1:2 and 1:3 complexes between cyclic (Py-M)<sub>3</sub> (M = Au, Ag and Cu) and halide ions (F<sup>−</sup>, Cl<sup>−</sup> and Br<sup>−</sup>) were studied using Møller Plesset (MP2) comp...

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Bibliographic Details
Main Authors: Ibon Alkorta, José Elguero, Cristina Trujillo, Goar Sánchez-Sanz
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:International Journal of Molecular Sciences
Subjects:
Online Access:https://www.mdpi.com/1422-0067/21/21/8036