Abstract To figure out the possible role of 1,1,1,3,3,3‐hexafluoropropan‐2‐ol (HFIP) as well as to provide reference thermochemical data in solution, the formation of Lewis acid‐base complexes between HFIP (Lewis acid) and a series of 8 different Lewis bases (3 sulfoxides, 3 Nsp2 pyridine…
Abstract The pentamethylcyclopentadienyl N‐heterocyclic carbene nickel complex [Ni(η 5 ‐C 5 Me 5 )Cl(IMes)] (IMes = 1,3‐dimesitylimidazol‐2‐ylidene) efficiently catalyses the anti‐Markovnikov hydroboration of alkenes with catecholborane in the presence of a catalytic amount of potassium tert…
Abstract The CMD/AMLA mechanisms of cyclopalladation and the parent fictitious but challenging cyclonickelation of N,N-dimethylbenzylamine have been investigated by joint DFT-D and DLPNO-CCSD(T) methods assisted by QTAIM-based noncovalent interaction plots (NCI plots) and interacting quantum atoms…
Abstract Two new trimetallic Cr‐Pd hemichelates containing a fluorenyl moiety and two trans arene‐bound Cr(CO)3 moieties were synthesized and fully characterized. Their molecular structures obtained by X‐ray diffraction analysis do not show major differences – in interatomic bond lengths within…
CHAPTER 27 Noncovalent Interactions in Key Metal-centred Catalytic Intermediates: Structure–Electronic Relationship Mustapha Hamdaoui and Jean-Pierre Djukic This chapter covers the most recent advances in investigations of the most critical intermediates in transition metal-promoted processes…
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