Density functional theory calculated data of the iodomethane oxidative addition to oligothiophene-containing rhodium complexes – Importance of dispersion correction

Electronic and free energy data of density functional theory calculated optimized geometries of the reactants, transition state of the oxidative addition reaction and different reaction products of the [Rh(RCOCHCOCF(3))(CO)(PPh(3))] + CH(3)I reactions (R = C(4)H(3)S, C(4)H(3)S-C(4)H(2)S and C(4)H(3)...

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Detalhes bibliográficos
Publicado no:Data Brief
Main Authors: Mateyise, Nandisiwe Ghandi Sibongile, Conradie, Jeanet, Conradie, Marrigje M.
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2021
Assuntos:
Data Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7973308/
https://ncbi.nlm.nih.gov/pubmed/33763509
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2021.106929
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