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Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Loreto, Domenico; Fasulo, Francesca; Muñoz-García, Ana B; Pavone, Michele; Merlino, Antonello.
Affiliation
  • Loreto D; Department of Chemical Sciences, University of Naples Federico II, Via Cintia, Napoli I-80126, Italy.
  • Fasulo F; Department of Chemical Sciences, University of Naples Federico II, Via Cintia, Napoli I-80126, Italy.
  • Muñoz-García AB; Department of Physics "Ettore Pancini", University of Naples Federico II, Via Cintia, Napoli I-80126, Italy.
  • Pavone M; Department of Chemical Sciences, University of Naples Federico II, Via Cintia, Napoli I-80126, Italy.
  • Merlino A; Department of Chemical Sciences, University of Naples Federico II, Via Cintia, Napoli I-80126, Italy.
Inorg Chem ; 61(22): 8402-8405, 2022 Jun 06.
Article in En | MEDLINE | ID: mdl-35609175
ABSTRACT
X-ray diffraction data demonstrate that the adduct formed upon the reaction of dirhodium(II,II) tetraacetate with RNase A reacts with imidazole, leading to the formation of an unexpected product with the imidazole that binds the dirhodium center at an equatorial site rather than an axial site. The origin of this result has been dissected using quantum-chemical calculations.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Organometallic Compounds Language: En Journal: Inorg Chem Year: 2022 Document type: Article Affiliation country: Italy
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Organometallic Compounds Language: En Journal: Inorg Chem Year: 2022 Document type: Article Affiliation country: Italy