Not only hydrogen bonds: Other noncovalent interactions

I Alkorta, J Elguero, A Frontera - Crystals, 2020 - mdpi.com
In this review, we provide a consistent description of noncovalent interactions, covering most
groups of the Periodic Table. Different types of bonds are discussed using their trivial …

Ye Olde supramolecular chemistry, its modern rebranding and overarching trends in chemistry

M Savastano - Dalton Transactions, 2024 - pubs.rsc.org
We can describe current contingency of supramolecular chemistry as “post-halogen
bonding”, with clear reference to the success of the σ-hole model and the halogen bond …

Influence of Substituents in the Benzene Ring on the Halogen Bond of Iodobenzene with Ammonia

S Scheiner, S Hunter - ChemPhysChem, 2022 - Wiley Online Library
The effects on the C− I⋅⋅ N halogen bond between iodobenzene and NH3 of placing
various substituents on the phenyl ring are monitored by quantum calculations. Substituents …

Can we quantitatively evaluate the mutual impacts of intramolecular metal–ligand bonds the same as intermolecular noncovalent bonds?

SS Movafagh, S Salehzadeh - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
In this paper, we have reviewed several equations for calculating the cooperative energy of
two chemical bonds between three fragments/species, regardless of whether they are …

Proximity effects of substituents on halogen bond strength

J Lapp, S Scheiner - The Journal of Physical Chemistry A, 2021 - ACS Publications
It is well known that the presence of an electron-withdrawing substituent (EWS) placed near
the halogen (X) atom on a Lewis acid molecule amplifies the ability of this unit to engage in …

σ-Hole and Lone-Pair Hole Interactions in Chalcogen-Containing Complexes: A Comparative Study

MAA Ibrahim, EMZ Telb - ACS omega, 2020 - ACS Publications
The potentiality of sp3-hybridized chalcogen-containing molecules to participate in lone-pair
(lp) hole interactions was reported for the first time. lp hole interactions were characterized …

Tuning the competition between hydrogen and tetrel bonds by a magnesium bond

M Hou, Y Zhu, Q Li, S Scheiner - ChemPhysChem, 2020 - Wiley Online Library
A computational study of the complexes formed by TF3OH (T= C, Si, Ge) with three nitrogen‐
containing bases NCH, NH3, and imidazole (IM) is carried out at the MP2/aug‐cc‐pVTZ …

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 …

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 …

Relative strengths of a pnicogen and a tetrel bond and their mutual effects upon one another

S Scheiner - The Journal of Physical Chemistry A, 2021 - ACS Publications
The ability of the T and Z atoms of TR3ZR2 to engage in a noncovalent interaction with NH3
is assessed by DFT calculations, where the T atom refers to C, Si, and Ge; Z= As, Sb, and P; …