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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)(3) (M = Au, Ag and Cu) and halide ions (F(−), Cl(−) and Br(−)) were studied using Møller Plesset (MP2) computational methods. Three different configurations were explored. In two of them, the...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7663457/ https://www.ncbi.nlm.nih.gov/pubmed/33126636 http://dx.doi.org/10.3390/ijms21218036 |