Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Diego, Sorbelli"'
Autor:
Yilei Wu, Yue Yuan, Diego Sorbelli, Christina Cheng, Lukas Michalek, Hao-Wen Cheng, Vishal Jindal, Song Zhang, Garrett LeCroy, Enrique D. Gomez, Scott T. Milner, Alberto Salleo, Giulia Galli, John B. Asbury, Michael F. Toney, Zhenan Bao
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-14 (2024)
Abstract All-polymer solar cells (all-PSCs) offer improved morphological and mechanical stability compared with those containing small-molecule-acceptors (SMAs). They can be processed with a broader range of conditions, making them desirable for prin
Externí odkaz:
https://doaj.org/article/f89683fa5c4d44e284c819e9f5fbbcd6
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
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
Autor:
Matteo, De Santis, Diego, Sorbelli, Valérie, Vallet, André Severo Pereira, Gomes, Loriano, Storchi, Leonardo, Belpassi
Publikováno v:
Journal of chemical theory and computation. 18(10)
Frozen density embedding (FDE) represents an embedding scheme in which environmental effects are included from first-principles calculations by considering the surrounding system explicitly by means of its electron density. In the present paper, we e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::14eeabbfa6d2fe64c50db6435990d71b
https://pubmed.ncbi.nlm.nih.gov/36172757
https://pubmed.ncbi.nlm.nih.gov/36172757
Publikováno v:
Journal of computational chemistry. 43(10)
Due to the presence of both a slightly acidic carbon and a slightly basic oxygen, carbon dioxide is often involved in concerted transition states (TSs) with two (or more) different molecular events interlaced in the same step. The possibility of isol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3a8bbbd3ef90bba01e669d36dee42650
https://pubmed.ncbi.nlm.nih.gov/35194805
https://pubmed.ncbi.nlm.nih.gov/35194805