Can a Wanzlick-like equilibrium exist between dicoordinate borylenes and diborenes?

ABSTRACT: Boron chemistry has experienced tremendous progress in the last few decades, resulting in the isolation of a variety of compounds with remarkable electronic structures and properties. Some examples are the singly Lewis-base-stabilised borylenes, wherein boron has a formal oxidation state of +I, and their dimers featuring a boron-boron double bond, namely diborenes. However, no evidence of a Wanzlick-type equilibrium between borylenes and diborenes, which would open a valuable route to the latter compounds, has been found. In this work, we combine DFT, coupled-cluster, multireference methods, and natural bond orbital/natural resonance theory analyses to investigate the electronic, structural, and kinetic factors controlling the reactivity of the transient CAAC-stabilised cyanoborylene, whic

SUBMITTER: Fantuzzi F 

PROVIDER: S-EPMC9093173 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature