Analogous to the ubiquitous alkoxide ligand, metal boroxide and boryloxy complexes are an underexplored class of hard anionic O - ligand. A new series of amine-stabilized Li, Sn(II), and Zn boryloxy complexes, comprising electron-rich tetrahedral boron centers have been synthesized and characterized. All complexes have been characterized by one-dimensional (1D), two-dimensional (2D), and DOSY NMR, which are consistent with the solid-state structures unambiguously determined via single-crystal X-ray diffraction. Electron-rich μ 2- (Sn and Zn) and μ 3- (Li) boryloxy binding modes are observed. Compounds 6-9 are the first complexes of this class, with the chelating bis- and tris-phenol ligands providing a scaffold that can be easily functionalized and provides access to the boronic acid pro-ligand, hence allowing facile direct synthesis of the resulting compounds. Computational quantum chemical studies suggest a significant enhancement of the π-donor ability of the amine-stabilized boryloxy ligand because of electron donation from the amine functionality into the p-orbital of the boron atom.

Original languageEnglish
Pages (from-to)2576-2591
Number of pages16
JournalInorganic Chemistry
Issue number6
Early online date28 Jan 2023
Publication statusPublished - 13 Feb 2023

Bibliographical note

Funding Information:
A.J.S. thanks Infineum UK for the provision of a PhD studentship. A.L.J. thanks the Department of Chemistry, University of Bath. This research made use of the Anatra High Performance Computing (HPC) Services at the University of Bath.

Publisher Copyright:
© 2023 The Authors. Published by American Chemical Society.


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