2 research outputs found
Theoretical investigations into the molecular and electronic structure of filled single-walled carbon nanotubes
EThOS - Electronic Theses Online ServiceGBUnited Kingdo
CāC Ļ complexes of rhodium
In this article, the complexes [Rh(Binor-Sā²)(PR(3))][BAr(4)(F)] (R = (i)Pr, Cy, C(5)H(9)) are described. A combination of x-ray crystallography, NMR spectroscopy, density functional theory, and āatoms in moleculesā calculations unequivocally demonstrates that the complexes contain rare examples of metalĀ·Ā·Ā·C [Image: see text] C agostic interactions. Moreover, they are fluxional on the NMR time scale, undergoing rapid and reversible C [Image: see text] C activation. Kinetic data and calculations point to a bismetallacyclobutane, Rh(V), intermediate