Yet another perspective on hole interactions

N Tarannam, R Shukla, S Kozuch - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Hole interactions are known by different names depending on the key atom of the bond
(halogen bond, chalcogen bond, hydrogen bond, etc.), and the geometry of the interaction (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 …

Sigma-hole and lone-pair-hole site-based interactions of seesaw tetravalent chalcogen-bearing molecules with Lewis bases

MAA Ibrahim, RRA Saeed, MNI Shehata… - ACS …, 2023 - ACS Publications
For the first time, sigma (σ)-and lone-pair (lp)-hole site-based interactions of SF4 and SeF4
molecules in seesaw geometry with NH3 and FH Lewis bases were herein comparatively …

Competition between a tetrel and halogen bond to a common Lewis acid

S Scheiner - The Journal of Physical Chemistry A, 2020 - ACS Publications
The T and X atoms of TF3X (T= C, Si, Ge, Sn; X= Cl, Br, I) can engage in a tetrel or halogen
bond, respectively, with an approaching NH3 base. With the exception of T= C, the tetrel …

Experimental and theoretical studies of dimers stabilized by two chalcogen bonds in the presence of a N··· N pnicogen bond

M Michalczyk, M Malik, W Zierkiewicz… - The Journal of …, 2021 - ACS Publications
The structure of the 5, 6-dichloro-2, 1, 3-benzoselenadiazole homodimer, obtained by
adding the ligand, 4, 5-dichloro-o-phenylenediamine, to the methanolic solution of SeCl4 …

Dichotomous Si–H bond activation by alkoxide and alcohol in base-catalyzed dehydrocoupling of silanes

ED Voronova, IE Golub, A Pavlov, NV Belkova… - Inorganic …, 2020 - ACS Publications
The activation of silanes in dehydrogenative coupling with alcohols under general base
catalysis was studied experimentally (using multinuclear NMR, IR, and UV–visible …

Dual Geometry Schemes in Tetrel Bonds: Complexes between TF4 (T = Si, Ge, Sn) and Pyridine Derivatives

W Zierkiewicz, M Michalczyk, R Wysokiński, S Scheiner - Molecules, 2019 - mdpi.com
When an N-base approaches the tetrel atom of TF4 (T= Si, Ge, Sn) the latter molecule
deforms from a tetrahedral structure in the monomer to a trigonal bipyramid. The base can …

Hexacoordinated Tetrel‐Bonded Complexes between TF4 (T=Si, Ge, Sn, Pb) and NCH: Competition between σ‐ and π‐Holes

M Michalczyk, W Zierkiewicz, R Wysokiński… - …, 2019 - Wiley Online Library
In order to accommodate the approach of two NCH bases, a tetrahedral TF4 molecule (T=
Si, Ge, Sn, Pb) distorts into an octahedral structure in which the two bases can be situated …

Carbon (sp 3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of C sp3⋯ N and C sp3⋯ F pair interactions

MM Ayhan, E Özcan, B Dedeoglu, Y Chumakov… - …, 2021 - pubs.rsc.org
Here, we present the first example of sp3 hybridized carbon centered (Csp3) tetrel bonding
mediated 3D BODIPY assembly via the exceptional synergy of Csp3⋯ N and Csp3⋯ F pair …

R•-hole interactions of group IV-VII radical-containing molecules: A comparative study

MAA Ibrahim, YAM Mohamed, HSM Abd Elhafez… - Journal of Molecular …, 2022 - Elsevier
For the first time, the potentiality of the sp 2-hybridized group IV-VII radical (R•)-containing
molecules to participate in R•-hole interactions was comparatively assessed using• SiF 3,• …