Results 11 to 20 of about 776,526 (154)
Chinese Journal of Magnetic Resonance, 2017 Halogen bond, as hydrogen bond, is a non-covalent bond. Dynamic nuclear polarization (DNP) technique has been used previously to study hydrogen bonds-mediated intermolecular interactions. However, no study has been carried out so far to study the halogen
GAO Shan +8 more
doaj +2 more sources
π covalency in the halogen bond
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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Halogen-Bond-Based Organocatalysis Unveiled: Computational Design and Mechanistic Insights [PDF]
, 2023 Halogen-bond-based organocatalysis is a promising alternative to the extensively explored halogen-bond-based catalysis. This paper presents a comprehensive theoreti- cal investigation of the structural and electronic properties of the σ-hole, as well as ...
Nika, Melnyk +2 more
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Self-complementary Dimers Based on Zwitterionic Halogen Bond Donors [PDF]
, 2022 Even though halogen bonding is routinely used in crystal engineering and beyond, multipoint interactions are still quite rare. This applies in particular to self-complementary systems which incorporate both halogen bond donating and accepting moieties ...
Raffaella, Papagna +9 more
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Keggin-Type Anions as Halogen Bond Acceptors. [PDF]
Cryst Growth Des, 2023 To study the potential of Keggin-type polyoxometalate anions to act as halogen bond acceptors, we have prepared a series of 10 halogen-bonded compounds starting from phosphomolybdic and phosphotungstic acid and halogenopyridinium cations as halogen (and ...
Fotović L, Bedeković N, Stilinović V.
europepmc +2 more sources
Intrinsic Bond Strength Index as a halogen bond interaction energy predictor [PDF]
, 2023 Halogen bonds (XBs) have become increasingly popular over the past few years with numerous applications in catalysis, material design, anion recognition, and medicinal chemistry.
Ona, Šivickytė, Paulo J., Costa
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Activation of a Metal-Halogen Bond by Halogen Bonding [PDF]
, 2020 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
Claude, Legault +7 more
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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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Three-center-four-electron halogen bond enables non-metallic complex catalysis for Mukaiyama–Mannich-type reaction [PDF]
, 2022 The three-center-four-electron halogen bond (3c4e X-bond) presents a fundamental design concept for catalysis. By integrating halogen(I) (X+: I+ or Br+), bis-pyridyl ligand NN, and non- nucleophilic counter anion Y, we developed non-metallic complex ...
Takeshi, FUJINAMI +6 more
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1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)
IUCrData, 2021 The single-crystal structure of the title compound, C4H10N2·2C6F3I3, features a moderately strong halogen bond between one of the three crystallographically distinct iodine atoms and the nitrogen atom.
Christelle Hajjar +2 more
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