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Closed-shell d(10)–d(10) in [AuCl(CNR)](n) and [AuCl(CO)](n) (n = 1, 2; R = –H, –CH(3), –Cy) complexes: quantum chemistry study of their electronic and optical properties
The electronic structure and spectroscopic properties of [AuCl(CNR)] and [AuCl(CO)] (R = –H, –CH(3), –Cy) complexes with d(10)–d(10) type interactions were studied at the post-Hartree–Fock (MP2, SCS-MP2, CCSD(T)) and density functional theory levels. It was found that the nature of the intermetal in...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8982242/ https://www.ncbi.nlm.nih.gov/pubmed/35424682 http://dx.doi.org/10.1039/d1ra07269b |