Formation of metallacarboxylic acids through Hieber base reaction. A density functional theory study

Using density functional theory (B97-D/ECP2/PCM//RI-BP86/ECP1 level), we have studied the effects of ligand variation on OH(−) uptake by transition-metal carbonyls (Hieber base reaction), i.e., L(n)M(CO) + OH(−) → [L(n)M(CO(2)H)](−), M = Fe, Ru, Os, L = CO, PMe(3), PF(3), py, bipy, Cl, H. The viabil...

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Detalles Bibliográficos
Autores principales: Ahmad, Shahbaz, Berry, Elisabeth A., Boyle, Conor H., Hudson, Christopher G., Ireland, Oliver W., Thompson, Emily A., Bühl, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2019
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6347588/
https://www.ncbi.nlm.nih.gov/pubmed/30684012
http://dx.doi.org/10.1007/s00894-018-3915-1

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