“Anti‐electrostatic” halogen bonding

JM Holthoff, E Engelage, R Weiss… - Angewandte Chemie …, 2020 - Wiley Online Library
Halogen bonding is often described as being driven predominantly by electrostatics, and
thus adducts between anionic halogen bond (XB) donors (halogen‐based Lewis acids) and …

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 …

Effects of halogen, chalcogen, pnicogen, and tetrel bonds on IR and NMR spectra

J Lu, S Scheiner - Molecules, 2019 - mdpi.com
Complexes were formed pairing FX, FHY, FH2Z, and FH3T (X= Cl, Br, I; Y= S, Se, Te; Z= P,
As, Sb; T= Si, Ge, Sn) with NH3 in order to form an A⋯ N noncovalent bond, where A refers …

Theoretical investigation on the non-covalent interactions of acetaminophen complex in different solvents: study of the enhancing effect of the cation–π interaction on …

M Mohammadi, A Khanmohammadi - Theoretical Chemistry Accounts, 2020 - Springer
In the current research, a comprehensive study is performed on the non-covalent
interactions of the acetaminophen complex in the presence of various solvents. In addition …

Theoretical analysis of the spodium bonds in HgCl2⋯ L (L= ClR, SR2, and PR3) dimers

T Xia, D Li, L Cheng - Chemical Physics, 2020 - Elsevier
Halogen bonds have received increasing interest in non-covalent interactions. Recently, a
new kind of non-covalent interaction, spodium bond, was proposed to refer to a net attractive …

Interplay of Tetrel, Hydrogen, and Halogen Bonds in F3GeOCl and HCN Complexes: A Comprehensive Theoretical Study of Dimers, Trimers, and Tetramers

A Frontera, S Emamian - The Journal of Physical Chemistry A, 2025 - ACS Publications
This study investigates the nature and interplay of noncovalent interactions (NCIs)─ tetrel
bonds (TB), hydrogen bonds (HB), and halogen bonds (XB)─ in molecular assemblies …

“Anti‐elektrostatische” Halogenbrücken

JM Holthoff, E Engelage, R Weiss… - Angewandte …, 2020 - Wiley Online Library
Halogenbrücken (XB) werden oft als primär elektrostatische Wechselwirkung beschrieben.
Deshalb scheinen Addukte zwischen anionischen XB‐Donoren (halogen‐basierten Lewis …

Computational analyses of cooperativity between pnicogen and halogen bonds in H2FP:pyrimidine: ClF complex

S Bagheri, M Vasfi, HR Masoodi - Structural Chemistry, 2024 - Springer
The substituent effects on cooperativity between pnicogen and halogen bonds in ternary
complexes involving pyrimidine with substituents X in the 5-position (X= CN, NC, CF3, Br, Cl …

Tuning the metal–ligand bond in the σ‐complexes of stannylenes and azabenzenes

B Bankiewicz, S Kupfer… - Journal of Computational …, 2021 - Wiley Online Library
The metal–ligand bond in a set of 60 σ‐complexes has been investigated by electronic
structure computations. These σ‐complexes originate from the unique combination of 12 …

Computational Study About Noncovalent Bonding Systems Involving Halogen, Chalcogen and Pnicogen Bonds

J Lu - 2023 - digitalcommons.usu.edu
First terms used in this thesis are introduced and defined as follows. In the periodic table, the
elements in the 17 th column are named halogen including fluorine (F), chlorine (Cl) …