Results 11 to 20 of about 54,172 (278)

Charge-Shift Bonding Propensity in Halogen-Bonded BXY (B Is a Small Lewis Base H2O or NH3; X and Y Are Halogen Atoms) Complexes: An NBO/NRT/AIM Investigation

open access: yesMolecules, 2023
Charge-shift (CS) bonding is a new bonding paradigm in the field of chemical bonds. Our recent study has revealed that certain Cu/Ag/Au-bonds display both CS bonding and ω-bonding characters. In this investigation, we extend our study to halogen bonding.
Junjie Song   +6 more
doaj   +1 more source

Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding

open access: yesMolecules, 2021
The nature of halogen-bond interactions was scrutinized from the perspective of astatine, potentially the strongest halogen-bond donor atom. In addition to its remarkable electronic properties (e.g., its higher aromaticity compared to benzene), C6At6 can
Serigne Sarr   +4 more
doaj   +1 more source

Direct arylation reaction of heteroarenes mediated by photoinduced electron transfer

open access: yesJournal of Photochemistry and Photobiology, 2023
Electron donor–acceptor (EDA) complexes are interesting chemical species that function as molecular complexes. In this context, chemists have actively studies the use of halogen bonding as a noncovalent interaction in photochemistry.
Eiji Yamaguchi, Oe Karin, Akichika Itoh
doaj   +1 more source

Halogen-bonded shape memory polymers

open access: yesNature Communications, 2022
Halogen bonding is widely adopted in organic synthesis and supramolecular crystal engineering but application of halogen bonding in the design of stimuli-responsive materials is challenging.
Hongshuang Guo   +6 more
doaj   +1 more source

Role of Halogen Substituents on Halogen Bonding in 4,5-DiBromohexahydro-3a,6-Epoxyisoindol-1(4H)-ones

open access: yesCrystals, 2021
A series of 4,5-dibromo-2-(4-substituted phenyl)hexahydro-3a,6-epoxyisoindol-1(4H)-ones were synthesized by reaction of the corresponding 2-(4-substituted phenyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-ones with [(Me2NCOMe)2H]Br3 in dry chloroform ...
Atash V. Gurbanov   +9 more
doaj   +1 more source

Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding [PDF]

open access: yes, 2020
Scanning tunnelling microscopy (STM) is commonly used to identify on-surface molecular self-assembled structures. However, its limited ability to reveal only the overall shape of molecules and their relative positions is not always enough to fully solve ...
Bonifazi, Davide   +5 more
core   +3 more sources

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

open access: yesIUCrJ, 2013
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.
METRANGOLO, PIERANGELO   +1 more
openaire   +4 more sources

Halogen Bonding in Two‐Dimensional Crystal Engineering

open access: yesChemistryOpen, 2020
Halogen bonds, which provide an intermolecular interaction with moderate strength and high directionality, have emerged as a promising tool in the repertoire of non‐covalent interactions.
Dr. Joan Teyssandier   +2 more
doaj   +1 more source

Cooperativity of halogen bonds – enhancing halogen-bond donating ability of halogenated pyridines through halogen bonding with N-haloimides [PDF]

open access: yesActa Crystallographica Section A Foundations and Advances, 2018
N-halogenated imides, common halogenating agents in organic synthesis, have recently been marked as extremely strong halogen donors. In previous studies we have demonstrated that N-halogenated succinimides form extremely short XBs with halogen bond energies between 20 and 60 kJ mol–1, depending on the pyridine basicity and the halogen atom. In light of
Stilinović, Vladimir, Cinčić, Dominik
openaire   +2 more sources

Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning [PDF]

open access: yes, 2015
Halogen bonding, a noncovalent interaction possessing several unique features compared to the more familiar hydrogen bonding, is emerging as a powerful tool in functional materials design.
Barrett C. J.   +10 more
core   +1 more source

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