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

abstract

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

authors

• Gabbai, Francois

published proceedings

• Inorg Chem

altmetric score

• 6.1

author list (cited authors)

• Maltz, L. T., & Gabbai, F. P.

citation count

• 3

complete list of authors

• Maltz, Logan T||Gabbaiï, François P

publication date

• August 2023

publisher

• American Chemical Society (ACS)  Publisher

published in

• Inorganic Chemistry  Journal

keywords

• 34 Chemical Sciences
• 3407 Theoretical And Computational Chemistry

PubMed Central ID

• 37551938

Digital Object Identifier (DOI)

• 10.1021/acs.inorgchem.3c01987

start page

• 13566

end page

• 13572

volume

• 62

issue

• 33

URL

• http://dx.doi.org/10.1021/acs.inorgchem.3c01987