Nonaqueous capillary electrophoresis and quantum chemical calculations applied to investigation of acid–base and electromigration properties of azahelicenes
Sign Up to like & getrecommendations! Published in 2021 at "ELECTROPHORESIS"
DOI: 10.1002/elps.202100331
Abstract: Nonaqueous capillary electrophoresis (NACE) using methanol (MeOH) as a solvent of the BGEs and quantum mechanical density functional theory (DFT) have been applied to determine the thermodynamic acidity (ionization) constants (pKa) of mono‐ and diaza[5]helicenes,… read more here.
Keywords: nonaqueous capillary; pka meoh; capillary electrophoresis; electrophoresis ... See more keywords
Ligand acidity constants as calculated by density functional theory for PF3 and N-Heterocyclic carbene ligands in hydride complexes of Iron(II)
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2018.10.024
Abstract: Abstract The deprotonation of metal-hydride intermediates is a key step in some catalytic processes, making the pKa of these intermediates a notable characteristic in the design of catalysts. The acid dissociation constant (Ka) in THF… read more here.
Keywords: hydride complexes; ligand acidity; pf3; acidity constants ... See more keywords