Related Experiment Video
Updated: Jun 10, 2025

A Protocol for Safe Lithiation Reactions Using Organolithium Reagents
Published on: November 12, 2016
Hirshfeld Atom Refinement (HAR) and Complementary Bonding Analysis of Lithium m-Terphenylhydridoborates Containing
Daniel Duvinage1, Lorraine A Malaspina1,2, Stefan Mebs3
1Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 7, 28359, Bremen, Germany.
Abstract:
The synthesis and characterization of the lithium m-terphenylhydridoborates [Li(2,6-Mes2C6H3)BH3]2 (1), Li(2,6-Mes2C6H3)2BH2 (2) and Li(OEt2)(2,6-Mes2C6H3)2BH2 (3) are reported. Hirshfeld Atom Refinement (HAR) of the experimentally obtained molecular structures by single-crystal X-ray crystallography allowed the determination of the exact positions of the hydrogen atoms. The bond situations of the various B-H⋅⋅⋅Li linkages were investigated by a complementary bonding analysis using various methods including atoms in molecules (AIM), electron localizability indicator (ELI-D), non-covalent interaction (NCI) index and the compliance matrix.
Related Concept Videos
Hybridization of Atomic Orbitals I
Molecular Orbital Theory II
Hybridization of Atomic Orbitals II
VSEPR Theory and the Basic Shapes
MO Theory and Covalent Bonding
Valence Bond Theory

