Results 11 to 20 of about 22,450 (237)
π covalency in the halogen bond [PDF]
Nature Communications, 2020 Current models of halogen bonding describe the σ-symmetric component of this interaction but do not contemplate the possibility of π-covalency. Here the authors provide experimental and computational evidence of π-covalency in halogen bonds involving ...
Cameron W. Kellett +2 more
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Chemical Reviews, 2016 The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of ...
Cavallo, Gabriella +7 more
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Activation of a Metal‐Halogen Bond by Halogen Bonding [PDF]
Angewandte Chemie International Edition, 2020 Abstract In recent years, the non‐covalent interaction of halogen bonding (XB) has found increasing application in organocatalysis. However, reports of the activation of metal‐ligand bonds by XB have so far been limited to a few reactions with elemental iodine or bromine. Herein, we present the activation of metal‐halogen bonds by two
Julian Wolf +7 more
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“Anti-Electrostatic” Halogen Bonding [PDF]
Angewandte Chemie International Edition, 2020 Halogen bonding (XB) is often described as being driven predominantly by electrostatics, and thus adducts between anionic XB donors (halogen-based Lewis acids) and anions seem counterintuitive.
Jana M. Holthoff +3 more
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Catalysis with Pnictogen, Chalcogen, and Halogen Bonds [PDF]
Angewandte Chemie - International Edition, 2018 Amalia I Poblador Bahamonde +1 more
exaly +2 more sources
Frontiers in Chemistry, 2020 The cooperativity between hydrogen and halogen bonds plays an important role in rational drug design. However, mimicking the dynamic cooperation between these bonds is a challenging issue, which has impeded the development of the halogen bond force field.
Tian-ge Dong +4 more
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Molecules, 2021 The formation of a pair of extended networks sustained by halogen bonds based upon two regioisomers of a photoproduct, namely rctt-1,3-bis(4-pyridyl)-2,4-bis(phenyl)cyclobutane (ht-PP) and rctt-1,2-bis(4-pyridyl)-3,4-bis(phenyl)cyclobutane (hh-PP), that ...
Taylor J. Dunning +3 more
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Cooperativity of halogen bonds – enhancing halogen-bond donating ability of halogenated pyridines through halogen bonding with N-haloimides [PDF]
Acta 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
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Molecules, 2020 Periodic local vibrational modes were calculated with the rev-vdW-DF2 density functional to quantify the intrinsic strength of the X-I⋯OA-type halogen bonding (X = I or Cl; OA: carbonyl, ether and N-oxide groups) in 32 model systems originating from 20 ...
Yunwen Tao +5 more
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The Tetrel Bonds of Hypervalent Halogen Compounds
Molecules, 2023 The tetrel bond between PhXF2Y(TF3) (T = C and Si; X = Cl, Br, and I; Y = F and Cl) and the electron donor MCN (M = Li and Na) was investigated at the M06-2X/aug-cc-pVDZ level of theory.
Zhihao Niu +2 more
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