The bright future of unconventional σ/π‐hole interactions
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 …
biology. Supramolecular forces can indeed determine the structure and function of a host …
Molecular electrostatic potentials and noncovalent interactions
JS Murray, P Politzer - Wiley Interdisciplinary Reviews …, 2017 - Wiley Online Library
σ‐Holes and π‐holes are two types of regions of lower electronic density that are frequently
found in molecules. There are often positive electrostatic potentials associated with them …
found in molecules. There are often positive electrostatic potentials associated with them …
The σ-hole revisited
P Politzer, JS Murray, T Clark, G Resnati - … Chemistry Chemical Physics, 2017 - pubs.rsc.org
A covalently-bonded atom typically has a region of lower electronic density, a “σ-hole,” on
the side of the atom opposite to the bond, along its extension. There is frequently a positive …
the side of the atom opposite to the bond, along its extension. There is frequently a positive …
Chemistry of biologically important synthetic organoselenium compounds
The element selenium was discovered in 1818 by the Swedish chemist Berzelius and was
named after the Greek goddess of the moon, Selene. 1 In biology, selenium was long …
named after the Greek goddess of the moon, Selene. 1 In biology, selenium was long …
The nature of halogen. cntdot.. cntdot.. cntdot. halogen interactions: are short halogen contacts due to specific attractive forces or due to close packing of nonspherical …
GR Desiraju, R Parthasarathy - Journal of the American Chemical …, 1989 - ACS Publications
The nature of halogen-halogen interactions in crystals has long been a matter of interest and
debate. 2 Intermolecular interactions associated with distances shorter than the sum of the …
debate. 2 Intermolecular interactions associated with distances shorter than the sum of the …
Organoselenium chemistry: role of intramolecular interactions
In 1836 the first organoselenium compound, diethyl selenide, was prepared by Löwig, 1 and
it was isolated in the pure form in 1869. 2 Early selenium chemistry involved the synthesis of …
it was isolated in the pure form in 1869. 2 Early selenium chemistry involved the synthesis of …
Tetrel bonding interactions
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 …
of the Tr family. An sp3 R4Tr unit has four σ‐holes with which a Lewis base can form a …
Theoretical investigations on chalcogen− chalcogen interactions: what makes these nonbonded interactions bonding?
To understand the intermolecular interactions between chalcogen centers (O, S, Se, Te),
quantum chemical calculations on pairs of model systems were carried out. For the oxygen …
quantum chemical calculations on pairs of model systems were carried out. For the oxygen …
The π-hole revisited
P Politzer, JS Murray, T Clark - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
It follows from the Schrödinger equation that the forces operating within molecules and
molecular complexes are Coulombic, which necessarily entails both electrostatics and …
molecular complexes are Coulombic, which necessarily entails both electrostatics and …
σ-Hole interactions: Perspectives and misconceptions
P Politzer, JS Murray - Crystals, 2017 - mdpi.com
After a brief discussion of the σ-hole concept and the significance of molecular electrostatic
potentials in noncovalent interactions, we draw attention to some common misconceptions …
potentials in noncovalent interactions, we draw attention to some common misconceptions …