The halogen bond
The halogen bond occurs when there is evidence of a net attractive interaction between an
electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic …
electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic …
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 …
Halogen bonding and other σ-hole interactions: A perspective
P Politzer, JS Murray, T Clark - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
A σ-hole bond is a noncovalent interaction between a covalently-bonded atom of Groups IV–
VII and a negative site, eg a lone pair of a Lewis base or an anion. It involves a region of …
VII and a negative site, eg a lone pair of a Lewis base or an anion. It involves a region of …
[PDF][PDF] Tetrel‐bonding interaction: rediscovered supramolecular force?
Noncovalent bonding interactions are crucial in many chemical and biological phenomena
and they have been intensively investigated for many years.[1] The hydrogen bond (AH··· D) …
and they have been intensively investigated for many years.[1] The hydrogen bond (AH··· D) …
Halogen bonding: an interim discussion
P Politzer, JS Murray - ChemPhysChem, 2013 - Wiley Online Library
Halogen bonding is a noncovalent interaction that is receiving rapidly increasing attention
because of its significance in biological systems and its importance in the design of new …
because of its significance in biological systems and its importance in the design of new …
Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam's Razor)
P Politzer, KE Riley, FA Bulat, JS Murray - Computational and Theoretical …, 2012 - Elsevier
Many covalently-bonded atoms of Groups IV–VII have regions of positive electrostatic
potential (σ-holes) opposite to the bonds, along their extensions. Through these positive …
potential (σ-holes) opposite to the bonds, along their extensions. Through these positive …
Trends in σ-hole strengths and interactions of F3MX molecules (M = C, Si, Ge and X = F, Cl, Br, I)
A Bundhun, P Ramasami, JS Murray… - Journal of molecular …, 2013 - Springer
It is well-established that many covalently-bonded atoms of Groups IV–VII have directionally-
specific regions of positive electrostatic potential (σ-holes) through which they can interact …
specific regions of positive electrostatic potential (σ-holes) through which they can interact …
Quantitative assessment of tetrel bonding utilizing vibrational spectroscopy
D Sethio, V Oliveira, E Kraka - Molecules, 2018 - mdpi.com
A set of 35 representative neutral and charged tetrel complexes was investigated with the
objective of finding the factors that influence the strength of tetrel bonding involving single …
objective of finding the factors that influence the strength of tetrel bonding involving single …
σ-Hole interactions of covalently-bonded nitrogen, phosphorus and arsenic: A survey of crystal structures
P Politzer, JS Murray, GV Janjić, SD Zarić - Crystals, 2014 - mdpi.com
Covalently-bonded atoms of Groups IV–VII tend to have anisotropic charge distributions, the
electronic densities being less on the extensions of the bonds (σ-holes) than in the …
electronic densities being less on the extensions of the bonds (σ-holes) than in the …
Comparison of tetrel bonds in neutral and protonated complexes of pyridineTF 3 and furanTF 3 (T= C, Si, and Ge) with NH 3
M Liu, Q Li, S Scheiner - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
Ab initio calculations have been performed for the complexes H+–PyTX3⋯ NH3 and H+–
furanTF3⋯ NH3 (T= C, Si, and Ge; X= F and Cl) with focus on geometries, energies, orbital …
furanTF3⋯ NH3 (T= C, Si, and Ge; X= F and Cl) with focus on geometries, energies, orbital …