A Discrete, Boron-Containing Triangular Triradical

Chemistry. 2024 Jan 8;30(2):e202302582. doi: 10.1002/chem.202302582. Epub 2023 Nov 16.

Abstract

A neutral boron-containing triangular triradical based on a triptycene derivative has been designed and synthesized. Its structure, bonding and physical property have been studied by EPR spectroscopy, SQUID magnetometry and single crystal X-ray diffraction, as well as theoretical calculations. The triradical has a series of isosceles triangle conformations in the solution due to the Jahn-Teller distortion, leading to the splitting of the two low-lying doublet states. This factor together with negligible spin-orbit coupling (SOC) of composing light atoms quenches the spin frustration. The work represents a rare example of a neutral through-space triangular triradical.

Keywords: boron; crystal structure; radical; synthesis; triradical.