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[HTML][HTML] The Pnictogen bond: the covalently bound arsenic atom in molecular entities in crystals as a Pnictogen bond donor
In chemical systems, the arsenic-centered pnictogen bond, or simply the arsenic bond,
occurs when there is evidence of a net attractive interaction between the electrophilic region …
occurs when there is evidence of a net attractive interaction between the electrophilic region …
Definition of the tetrel bond
This paper proposes a definition of the term “tetrel bond” based on the evidence
documented in the current literature. It lists the donors, acceptors, as well as related …
documented in the current literature. It lists the donors, acceptors, as well as related …
Speculative assessment, molecular composition, PDOS, topology exploration (ELF, LOL, RDG), ligand-protein interactions, on 5-bromo-3-nitropyridine-2-carbonitrile
K Arulaabaranam, S Muthu, G Mani, ASB Geoffrey - Heliyon, 2021 - cell.com
Abstract Computational calculations of 5-bromo-3-nitropyridine-2-carbonitrile (5B3N2C) on
molecular structure and on energy are implemented using the 6-311++ G (d, p) basis set by …
molecular structure and on energy are implemented using the 6-311++ G (d, p) basis set by …
Definition of the Halogen Bond (IUPAC Recommendations 2013): A Revisit
This Article revisits the “Definition of the Halogen Bond (IUPAC Recommendations
2013)”[Desiraju, GR Pure Appl. Chem. 2013, 85 (8), 1711–1713], recommendations that fail …
2013)”[Desiraju, GR Pure Appl. Chem. 2013, 85 (8), 1711–1713], recommendations that fail …
[HTML][HTML] Is the fluorine in molecules dispersive? Is molecular electrostatic potential a valid property to explore fluorine-centered non-covalent interactions?
Can two sites of positive electrostatic potential localized on the outer surfaces of two
halogen atoms (and especially fluorine) in different molecular domains attract each other to …
halogen atoms (and especially fluorine) in different molecular domains attract each other to …
[HTML][HTML] Tetrel bonding in anion recognition: A first principles investigation
PR Varadwaj - Molecules, 2022 - mdpi.com
Twenty-five molecule–anion complex systems [I4Tt··· X−](Tt= C, Si, Ge, Sn and Pb; X= F, Cl,
Br, I and At) were examined using density functional theory (ωB97X-D) and ab initio (MP2 …
Br, I and At) were examined using density functional theory (ωB97X-D) and ab initio (MP2 …
π-Hole Halogen Bonds Are Sister Interactions to σ-Hole Halogen Bonds
Halogen's σ-hole interactions are found throughout the chemical, biological, and crystal
engineering literature. These interactions are directional and may be of van der Waals type …
engineering literature. These interactions are directional and may be of van der Waals type …
The pnictogen bond forming ability of bonded bismuth atoms in molecular entities in the crystalline phase: a perspective
Thousands of crystal structures containing bismuth have been deposited in various crystal
structure databases since late last century; in many, a covalently or coordinately bonded …
structure databases since late last century; in many, a covalently or coordinately bonded …
Can an entirely negative fluorine in a molecule, viz. perfluorobenzene, interact attractively with the entirely negative site (s) on another molecule (s)? Like liking like!
We present in this study the possibility of the formation of attractive intermolecular
interactions between various entirely negative sites localized on a variety of atoms in …
interactions between various entirely negative sites localized on a variety of atoms in …
On the molecular and supramolecular properties of N, N′-disubstituted iminoisoindolines: synthesis, spectroscopy, X-ray structure and Hirshfeld surface analyses …
Supramolecular studies of iminoisoindoline-derived compounds have been prompted by
their biological and photophysical properties. In this article, we report the synthesis …
their biological and photophysical properties. In this article, we report the synthesis …