Theoretical Study of Electronic Structure and Chemical Bonding in MOB⁻ and MBO⁻ (M = Sc -Zn) Molecules

Key Points

• This study aims to explore the electronic structure and chemical bonding characteristics of boronyl anions (MOB⁻ and MBO⁻).
• Theoretical framework for analyzing electronic structures.
• Comparative studies with isoelectronic analogues like CO.
• The boronyl anion exhibits significant polarization compared to CO.
• Findings indicate enhanced reactivity and electronic diversity in boronyl complexes.

Abstract