Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study
Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study
Authors (5): M. Delarmelina, E. Marelli, J. W. de M. Carneiro, S. P. Nolan, M. Bühl
Themes: Energy, Environment
DOI: 10.1002/chem.201703567
Citations: 13
Pub type: article-journal
Pub year: 2017

Publisher: Wiley

Issue: 59

License: http://doi.wiley.com/10.1002/tdm_license_1.1

Publication date(s): 2017/10/20 (print) 2017/09/26 (online)

Pages: 14954-14961

Volume: 23 Issue: 59

Journal: Chemistry - A European Journal

Link: https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fchem.201703567

URL: http://dx.doi.org/10.1002/chem.201703567

CO2 Activation: Based on DFT calculations a new mechanism is proposed for the Ni-catalyzed carboxylation of organoboronates with CO2. In this mechanism, transfer of the organic moiety from boron to n...

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chem201703567-sup-0001-misc_information.pdf Supl. data for Mechanism of the Catalytic Carboxylation of Alkylboronate... 2017
Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 using Ni-NHC complexes: A DFT Study (dataset) Computational data and metadata underpinning publication in scientific j... 2017


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