The DFT calculations of the simplified model of the asymmetric Suzuki–Miyaura coupling reaction were performed at the M062x/LANL2DZ theory level at first. It was found that enantioselective reactions mediated by the palladium complexes of chiral C,P-ligands follow a four-stage mechanism similar to that proposed previously as one of the most credible mechanisms. It should be underlined that the presence of substituents in the substrates and the chiral ligand at ortho positions determines the energies of possible diastereoisomeric transition states and intermediates in initial reaction steps. This suggests that, in practice, a sharp selection of theoretically possible paths of chirality transfer from the catalyst to the product should have a place and, therefore, the absolute configuration of the formed atropisomeric product is defined and can be predicted.
from #AlexandrosSfakianakis via Alexandros G.Sfakianakis on Inoreader http://ift.tt/2qYq9ob
via IFTTT
Εγγραφή σε:
Σχόλια ανάρτησης (Atom)
Δημοφιλείς αναρτήσεις
-
Abstract Bromodomain proteins function as epigenetic readers that recognize acetylated histone tails to facilitate the transcription of t...
-
Abstract Purpose Overcoming the flaws of current data management conditions in head and neck oncology could enable integrated informatio...
-
1 abqls-210rm.html Read the latest Journal of Clinical Neurophysiology - Vol. 37, No. 1, January 2020.eml 2 agx3v-nxz96.html Read the late...
-
Ambergris Caye's best News Source. A weekly tourism and community oriented newspaper providing local news, stories, and reports on what...
-
by Yanwei Li, Haifeng Liu, Wei Zeng, Jing Wei An increase in the osmolarity of tears induced by excessive evaporation of the aqueous tear p...
-
http://ift.tt/2p41efZ
-
Abstract In present work, the electronic structure and optical properties of the FeX 2 (X = S, Se, Te) compounds have been evaluated by t...
Δεν υπάρχουν σχόλια:
Δημοσίευση σχολίου