Analyzing Fluoride Binding by Group 15 Lewis Acids: Pnictogen Bonding in the Pentavalent State

Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 62(33), P. 13566 - 13572

Published: Aug. 8, 2023

We report the results of a computational investigation into fluoride binding by series pentavalent pnictogen Lewis acids: pentahalides (PnX5), tetraphenyl pnictogeniums (PnPh4+), and triphenyl tetrachlorocatecholates (PnPh3Cat). Activation strain energy decomposition analyses adducts not only clearly delineate electrostatic orbital contributions to these acid–base interactions but also highlight importance Pauli repulsion molecular flexibility in determining relative acidity among pnictogens.

Language: Английский

Analyzing Fluoride Binding by Group 15 Lewis Acids: Pnictogen Bonding in the Pentavalent State

Published: June 16, 2023

We report the results of a computational investigation into fluoride binding by series pentavalent pnictogen Lewis acids: pentahalides (PnX5), tetraphenyl pnictogeniums (PnPh4+), and triphenyl tetrachlorocatecholates (PnPh3Cat). Activation strain energy decomposition analyses adducts clearly delineate electrostatic orbital contributions to these acid-base interactions, but they also highlight importance Pauli repulsion molecular flexibility in determining relative acidity among pnictogens.

Language: Английский