Results 1 to 10 of about 22,450 (237)

Type II halogen···halogen contacts are halogen bonds [PDF]

IUCrJ, 2014
Cl/Br/I alternative substitutions in a series of dihalophenols indicate that type I and type II halogen···halogen contacts have different chemical nature. Only the latter ones qualify as true halogen bonds, according to the recent IUPAC definition.
Pierangelo Metrangolo, Giuseppe Resnati
doaj   +6 more sources

Abnormalities of the Halogen Bonds in the Complexes between Y₂CTe (Y = H, F, CH₃) and XF (X = F, Cl, Br, I) [PDF]

Molecules, 2022
In this work, the hydrogen bonds and halogen bonds in the complexes between Y2CTe (Y = H, F, CH3) and XF (X = F, Cl, Br, I) have been studied by quantum chemical calculations. We found three interesting abnormalities regarding the interactions.
Ya-Qian Wang, Rui-Jing Wang, Qing-Zhong Li, Zhi-Wu Yu   +3 more
doaj   +2 more sources

A–X⋯σ Interactions—Halogen Bonds with σ-Electrons as the Lewis Base Centre [PDF]

Molecules, 2021
CCSD(T)/aug-cc-pVTZ//ωB97XD/aug-cc-pVTZ calculations were performed for halogen-bonded complexes. Here, the molecular hydrogen, cyclopropane, cyclobutane and cyclopentane act as Lewis base units that interact through the electrons of the H–H or C–C σ ...
Sławomir J. Grabowski
doaj   +2 more sources

Chalcogen Bonds, Halogen Bonds and Halogen···Halogen Contacts in Di- and Tri-iododiorganyltellurium(IV) Derivatives

Inorganics, 2023
In this manuscript, we have examined the CSD (Cambridge Structural Database) to investigate the relative ability of Te and I (in practice, the heaviest chalcogen and halogen atoms) in di- and tri-iododiorganyltellurium(IV) derivatives to establish σ-hole
Sergi Burguera, Rosa M. Gomila, Antonio Bauzá, Antonio Frontera   +3 more
doaj   +3 more sources

Supramolecular Halogen Bonds in Asymmetric Catalysis [PDF]

Frontiers in Chemistry, 2020
Halogen bonding has received a significant increase in attention in the past 20 years. An important part of this interest has centered on catalytic applications of halogen bonding.
Mikk Kaasik, Tõnis Kanger
doaj   +2 more sources

Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization

IUCrJ, 2018
Halogen bonds have emerged as noncovalent forces that govern the assembly of molecules in organic solids with a degree of reliability akin to hydrogen bonds.
Michael A. Sinnwell, Jared N. Blad, Logan R. Thomas, Leonard R. MacGillivray   +3 more
doaj   +3 more sources

Combination of Hydrogen and Halogen Bonds in the Crystal Structures of 5-Halogeno-1H-isatin-3-oximes: Involvement of the Oxime Functionality in Halogen Bonding [PDF]

Molecules
Various functional groups have been considered as acceptors for halogen bonds, but the oxime functionality has received very little attention in this context.
Eric Meier, Wilhelm Seichter, Monika Mazik   +2 more
doaj   +2 more sources

Surface-controlled reversal of the selectivity of halogen bonds [PDF]

Nature Communications, 2020
Halogen bonds are emerging in numerous areas of application for building molecular assemblies due to their directionality and tunability. Here, the authors establish the surface as a control knob for tuning molecular assemblies by reversing the ...
Jalmar Tschakert, Qigang Zhong, Daniel Martin-Jimenez, Jaime Carracedo-Cosme, Carlos Romero-Muñiz, Pascal Henkel, Tobias Schlöder, Sebastian Ahles, Doreen Mollenhauer, Hermann A. Wegner, Pablo Pou, Rubén Pérez, André Schirmeisen, Daniel Ebeling   +13 more
doaj   +2 more sources

Halogen bonds between ligands and proteins: Can we use them in validation? [PDF]

Protein Science
Robbie P Joosten
exaly   +2 more sources

Halogen-bonded co-crystal containing 1,3-diiodoperchlorobenzene and the photoproduct rtct-tetrakis(pyridin-4-yl)cyclobutane resulting in a zigzag topology

Acta Crystallographica Section E: Crystallographic Communications, 2023
The formation and crystal structure of a zigzag network held together by I...N halogen bonds is reported. In particular, the halogen-bond donor is 1,3-diiodoperchlorobenzene (C6I2Cl4) while the acceptor is the photoproduct rtct-tetrakis(pyridin-4-yl ...
Eric Bosch, Daniel K. Unruh, Carlos L. Santana, Ryan H. Groeneman   +3 more
doaj   +1 more source