Zobrazeno 1 - 10
of 124
pro vyhledávání: '"Leonardo, Belpassi"'
Autor:
Flavio Sabatelli, Jacopo Segato, Leonardo Belpassi, Alessandro Del Zotto, Daniele Zuccaccia, Paola Belanzoni
Publikováno v:
Molecules, Vol 26, Iss 9, p 2445 (2021)
The coordination ability of the [(ppy)Au(IPr)]2+ fragment [ppy = 2-phenylpyridine, IPr = 1,3-bis(2,6-di-isopropylphenyl)-imidazol-2-ylidene] towards different anionic and neutral X ligands (X = Cl−, BF4−, OTf−, H2O, 2-butyne, 3-hexyne) commonly
Externí odkaz:
https://doaj.org/article/aee4ed153b24460e9da650e164921298
Autor:
Diego Sorbelli, Elisa Rossi, Remco W.A. Havenith, Johannes E.M.N. Klein, Leonardo Belpassi, Paola Belanzoni
Publikováno v:
INORGANIC CHEMISTRY
Inorganic Chemistry, 61(19). AMER CHEMICAL SOC
Inorganic Chemistry, 61(19). AMER CHEMICAL SOC
The unconventional carbon dioxide insertion reaction of a gold-aluminyl [tBu3PAuAl(NON)] complex has been recently shown to be related to the electron-sharing character of the Au-Al bond that acts as a nucleophile and stabilizes the insertion product
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a47cbc6d05372722de094a879819c161
https://doi.org/10.1021/acs.inorgchem.2c00174
https://doi.org/10.1021/acs.inorgchem.2c00174
Publikováno v:
Inorganic Chemistry
Anionic aluminum(I) anions (“aluminyls”) are the most recent discovery along Group 13 anions, and the understanding of the unconventional reactivity they are able to induce at a coordinated metal site is at an early stage. A striking example is t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9840c571bd81abd90a85b580c700cc43
https://doi.org/10.1021/acs.inorgchem.1c03579
https://doi.org/10.1021/acs.inorgchem.1c03579
Publikováno v:
Chemical Science. 13:4623-4634
Aluminyls and carbenes as coordination ligands, although sharing similar electronic properties, reveal fundamental differences in their tunability, bonding to gold and reactivity of their complexes with carbon dioxide.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb900ebbf80351b84182e8337729f9a8
https://doi.org/10.1039/d2sc00630h
https://doi.org/10.1039/d2sc00630h
Autor:
Isaac F. Leach, Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni, Remco W. A. Havenith, Johannes E. M. N. Klein
Publikováno v:
Dalton Transactions, 52(1), 11-15. ROYAL SOC CHEMISTRY
Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-shar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b6a077b724835f2280d243ae14d105b
https://research.rug.nl/en/publications/12d2fd7c-8e20-4f99-99fe-98c53178ac0e
https://research.rug.nl/en/publications/12d2fd7c-8e20-4f99-99fe-98c53178ac0e
Publikováno v:
Inorganic chemistry. 61(51)
In this work, the mechanism of the insertion reaction of 3-hexyne into Cu-Al and Au-Al bonds in M-aluminyl (M = Cu, Au) complexes is computationally elucidated. The mechanism is found to be radical-like, with the Cu-Al and Au-Al bonds acting as nucle
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40ec79f4e9e60c4bce0f2b38170f1afb
https://pubmed.ncbi.nlm.nih.gov/36493466
https://pubmed.ncbi.nlm.nih.gov/36493466
Autor:
Francesca Nunzi, Giacomo Pannacci, Francesco Tarantelli, Leonardo Belpassi, David Cappelletti, Stefano Falcinelli, Fernando Pirani
Publikováno v:
Molecules, Vol 25, Iss 10, p 2367 (2020)
The nature, strength, range and role of the bonds in adducts of noble gas atoms with both neutral and ionic partners have been investigated by exploiting a fine-tuned integrated phenomenological–theoretical approach. The identification of the leadi
Externí odkaz:
https://doaj.org/article/074e30f296d440ba944e87d013b64e20
Publikováno v:
Molecules, Vol 25, Iss 2, p 300 (2020)
Theoretical bonding analysis is of prime importance for the deep understanding of the various chemical interactions, covalent or not. Among the various methods that have been developed in the last decades, the analysis of the Charge Displacement func
Externí odkaz:
https://doaj.org/article/d5ec2293d51b49aab453d7db058186e1
The computational study of an unprecedented reactivity of coinage metal-aluminyl complexes with dihydrogen is reported. In close resemblance to Group 14 dimetallenes and dimetallynes, the complexes are predicted to activate H2 under mild conditions.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8f2d6302eda7521bb10587f4eadca6c
https://doi.org/10.26434/chemrxiv-2022-crzh7
https://doi.org/10.26434/chemrxiv-2022-crzh7