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Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor

[Image: see text] The complexes [RhX(COD)](2) (X = Cl, Br; COD = 1,5-cyclooctadiene) form cocrystals with σ-hole iodine donors. X-ray diffraction studies and extensive theoretical considerations indicate that the d(z)(2)-orbitals of two positively charged rhodium(I) centers provide sufficient nucleo...

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Autores principales: Eliseeva, Anastasiya A., Ivanov, Daniil M., Rozhkov, Anton V., Ananyev, Ivan V., Frontera, Antonio, Kukushkin, Vadim Yu.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8395620/
https://www.ncbi.nlm.nih.gov/pubmed/34467299
http://dx.doi.org/10.1021/jacsau.1c00012
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author Eliseeva, Anastasiya A.
Ivanov, Daniil M.
Rozhkov, Anton V.
Ananyev, Ivan V.
Frontera, Antonio
Kukushkin, Vadim Yu.
author_facet Eliseeva, Anastasiya A.
Ivanov, Daniil M.
Rozhkov, Anton V.
Ananyev, Ivan V.
Frontera, Antonio
Kukushkin, Vadim Yu.
author_sort Eliseeva, Anastasiya A.
collection PubMed
description [Image: see text] The complexes [RhX(COD)](2) (X = Cl, Br; COD = 1,5-cyclooctadiene) form cocrystals with σ-hole iodine donors. X-ray diffraction studies and extensive theoretical considerations indicate that the d(z)(2)-orbitals of two positively charged rhodium(I) centers provide sufficient nucleophilicity to form a three-center halogen bond (XB) with the σ-hole donors. The two metal centers function as an integrated XB acceptor, providing assembly via a metal-involving XB.
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spelling pubmed-83956202021-08-30 Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor Eliseeva, Anastasiya A. Ivanov, Daniil M. Rozhkov, Anton V. Ananyev, Ivan V. Frontera, Antonio Kukushkin, Vadim Yu. JACS Au [Image: see text] The complexes [RhX(COD)](2) (X = Cl, Br; COD = 1,5-cyclooctadiene) form cocrystals with σ-hole iodine donors. X-ray diffraction studies and extensive theoretical considerations indicate that the d(z)(2)-orbitals of two positively charged rhodium(I) centers provide sufficient nucleophilicity to form a three-center halogen bond (XB) with the σ-hole donors. The two metal centers function as an integrated XB acceptor, providing assembly via a metal-involving XB. American Chemical Society 2021-02-19 /pmc/articles/PMC8395620/ /pubmed/34467299 http://dx.doi.org/10.1021/jacsau.1c00012 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Eliseeva, Anastasiya A.
Ivanov, Daniil M.
Rozhkov, Anton V.
Ananyev, Ivan V.
Frontera, Antonio
Kukushkin, Vadim Yu.
Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
title Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
title_full Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
title_fullStr Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
title_full_unstemmed Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
title_short Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
title_sort bifurcated halogen bonding involving two rhodium(i) centers as an integrated σ-hole acceptor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8395620/
https://www.ncbi.nlm.nih.gov/pubmed/34467299
http://dx.doi.org/10.1021/jacsau.1c00012
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