Origins and Properties of the Tetrel Bond

Document Type

Article

Author ORCID Identifier

Steve Scheiner https://orcid.org/0000-0003-0793-0369

Journal/Book Title

Physical Chemistry Chemical Physics

Publication Date

2-23-2021

Publisher

Royal Society of Chemistry

Award Number

NSF, Division of Chemistry (CHE) 1954310

Funder

NSF, Division of Chemistry (CHE)

Volume

23

Issue

10

First Page

5702

Last Page

5717

Abstract

The tetrel bond (TB) recruits an element drawn from the C, Si, Ge, Sn, Pb family as electron acceptor in an interaction with a partner Lewis base. The underlying principles that explain this attractive interaction are described in terms of occupied and vacant orbitals, total electron density, and electrostatic potential. These principles facilitate a delineation of the factors that feed into a strong TB. The geometric deformation that occurs within the tetrel-bearing Lewis acid monomer is a particularly important issue, with both primary and secondary effects. As a first-row atom of low polarizability, C is a reluctant participant in TBs, but its preponderance in organic and biochemistry make it extremely important that its potential in this regard be thoroughly understood. The IR and NMR manifestations of tetrel bonding are explored as spectroscopy offers a bridge to experimental examination of this phenomenon. In addition to the most common σ-hole type TBs, discussion is provided of π-hole interactions which are a result of a common alternate covalent bonding pattern of tetrel atoms.

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