Noncovalent bonds through sigma and Pi-hole located on the same molecule. guiding principles and comparisons

W Zierkiewicz, M Michalczyk, S Scheiner - Molecules, 2021 - mdpi.com
Over the last years, scientific interest in noncovalent interactions based on the presence of
electron-depleted regions called σ-holes or π-holes has markedly accelerated. Their high …

Tetrel bonding interactions involving carbon at work: recent advances in crystal engineering and catalysis

A Frontera - C, 2020 - mdpi.com
The σ-and π-hole interactions are used to define attractive forces involving elements of
groups 12–18 of the periodic table acting as Lewis acids and any electron rich site (Lewis …

Synthetic approach to achieve halo imine units: Solid-state assembly, DFT based electronic and non linear optical behavior

M Ashfaq, A Ali, MN Tahir, M Khalid, MA Assiri… - Chemical Physics …, 2022 - Elsevier
Herein, two crystalline schiff bases:(E)-2, 4-dibromo-6-(((3, 4-dichlorophenyl) imino) methyl)
phenol (DCBA) and (E)-2, 4-dichloro-6-(((2, 4, 5-trichlorophenyl) imino) methyl) phenol …

σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study

MAA Ibrahim, HAA Abuelliel, NAM Moussa… - RSC …, 2024 - pubs.rsc.org
Herein, the potential of ZO3 and ZF2 aerogen-comprising molecules (where Z= Ar, Kr, and
Xe) to engage in σ-, lp-, and π-hole site-based interactions was comparatively studied using …

One-Pot Route to X-perfluoroarenes (X = Br, I) Based on FeIII-Assisted C–F Functionalization and Utilization of These Arenes as Building Blocks for Crystal …

AV Rozhkov, AA Eliseeva, SV Baykov… - Crystal Growth & …, 2020 - ACS Publications
Perfluorinated arenes (benzeneF derivatives, diphenylF, naphthaleneF) were converted into
X-perfluoroarenes (X= Br, I) via the developed one-pot protocol based on [Fe …

Xenon derivatives as aerogen bond-donating catalysts for organic transformations: A theoretical study on the metaphorical “spherical cow in a vacuum” provides …

AS Novikov, DS Bolotin - The Journal of Organic Chemistry, 2022 - ACS Publications
Computations indicate that cationic and noncharged xenon derivatives should exhibit higher
catalytic activity than their iodine-based noncovalent organocatalytic congeners …

Noble gas bonding interactions involving xenon oxides and fluorides

A Frontera - Molecules, 2020 - mdpi.com
Noble gas (or aerogen) bond (NgB) can be outlined as the attractive interaction between an
electron-rich atom or group of atoms and any element of Group-18 acting as an electron …

Anion–anion interactions in aerogen-bonded complexes. Influence of solvent environment

A Grabarz, M Michalczyk, W Zierkiewicz, S Scheiner - Molecules, 2021 - mdpi.com
Ab initio calculations are applied to the question as to whether a AeX5− anion (Ae= Kr, Xe)
can engage in a stable complex with another anion: F−, Cl−, or CN−. The latter approaches …

The N, N, N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies

A Daolio, EK Wieduwilt, A Pizzi, A Genoni… - Physical Chemistry …, 2022 - pubs.rsc.org
Five structures bearing the N, N, N-trimethylammonium unit have been investigated to
address the ability of the N+–CH3 unit to function as a tetrel bond donor site. Charged and …

Noble-gas compounds: A general procedure of bonding analysis

S Borocci, F Grandinetti, N Sanna - The Journal of Chemical Physics, 2022 - pubs.aip.org
This paper accounts for a general procedure of bonding analysis that is, expectedly,
adequate to describe any type of interaction involving the noble-gas (Ng) atoms. Building on …