The bright future of unconventional σ/π‐hole interactions

A Bauzá, TJ Mooibroek, A Frontera - ChemPhysChem, 2015 - Wiley Online Library
Non‐covalent interactions play a crucial role in (supramolecular) chemistry and much of
biology. Supramolecular forces can indeed determine the structure and function of a host …

C (sp3) atoms as tetrel bond donors: A crystallographic survey

A Daolio, P Scilabra, G Terraneo, G Resnati - Coordination Chemistry …, 2020 - Elsevier
The σ-hole and π-hole interactions allow for a systematic understanding of some features of
the attractive interactions involving elements of groups 13–18 of the periodic table and of …

Origins and properties of the tetrel bond

S Scheiner - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
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 …

Aerogen bonding interaction: a new supramolecular force?

A Bauzá, A Frontera - Angewandte Chemie International …, 2015 - Wiley Online Library
We report evidence of the favorable noncovalent interaction between a covalently bonded
atom of Group 18 (known as noble gases or aerogens) and a negative site, for example, a …

Tetrel bonding interactions

A Bauzá, TJ Mooibroek, A Frontera - The Chemical Record, 2016 - Wiley Online Library
Tetrel (Tr) bonding is first placed into perspective as a σ‐hole bonding interaction with atoms
of the Tr family. An sp3 R4Tr unit has four σ‐holes with which a Lewis base can form a …

Noncovalent Carbon‐Bonding Interactions in Proteins

VR Mundlapati, DK Sahoo, S Bhaumik… - Angewandte Chemie …, 2018 - Wiley Online Library
Carbon bonds (C‐bonds) are the highly directional noncovalent interactions between
carbonyl‐oxygen acceptors and sp3‐hybridized‐carbon σ‐hole donors through n→ σ …

[HTML][HTML] Understanding noncovalent bonds and their controlling forces

S Scheiner - The Journal of Chemical Physics, 2020 - pubs.aip.org
The fundamental underpinnings of noncovalent bonds are presented, focusing on the σ-hole
interactions that are closely related to the H-bond. Different means of assessing their …

Directionality of π-holes in nitro compounds

A Bauzá, TJ Mooibroek, A Frontera - Chemical Communications, 2015 - pubs.rsc.org
Directionality of π-holes in nitro compounds - Chemical Communications (RSC Publishing)
DOI:10.1039/C4CC09132A Royal Society of Chemistry View PDF VersionPrevious ArticleNext …

Halogen and chalcogen bond energies evaluated using electron density properties

A Bauzá, A Frontera - ChemPhysChem, 2020 - Wiley Online Library
Halogen (X‐bond) and chalcogen bond (Ch− bond) energies for 36 complexes have been
obtained at the RI‐MP2/def2− TZVP level of theory, involving the heavier halogen and …

Cooperativity in tetrel bonds

M Marín-Luna, I Alkorta, J Elguero - The Journal of Physical …, 2016 - ACS Publications
A theoretical study of the cooperativity in linear chains of (H3SiCN) n and (H3SiNC) n
complexes connected by tetrel bonds has been carried out by means of MP2 and CCSD (T) …