Results 21 to 30 of about 22,450 (237)
Intramolecular halogen–halogen bonds?
Physical Chemistry Chemical Physics, 2013 By analysing the properties of the electron density in the structurally simple perhalogenated ethanes, X3C-CY3 (X, Y = F, Cl), a previously overlooked non-covalent attraction between halogens attached to opposite carbon atoms is found. Quantum chemical calculations extrapolated towards the full solution of the Schrödinger equation reveal the complex ...
Johansson, Mikael P., Swart, Marcel
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Halogen bonding and chalcogen bonding mediated sensing
Chemical Science, 2022 Sigma–hole mediated detection of anions is rapidly emerging as a new paradigm in supramolecular sensor chemistry. Herein, we provide an overview of this field including halogen bonding and chalcogen bonding optical, electrochemical and other sensors.
Hein, R, Beer, PD
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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
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Site Selectivity of Halogen Oxygen Bonding in 5- and 6-Haloderivatives of Uracil
Crystals, 2019 Seven 5-and 6-halogenated derivatives of uracil or 1-methyluracil (halogen = Cl, Br, I) were studied by single crystal X-ray diffraction. In contrast with pure 5-halouracils, where the presence of N-H⋯O and C-H⋯O hydrogen bonds prevents the formation of ...
Gustavo Portalone
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Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies
Molecules, 2022 The term matere bond has been recently used to refer to an attractive noncovalent interaction between any element of group 7 acting as an electrophile and any atom (or group of atoms) acting as a nucleophile.
Rosa M. Gomila, Antonio Frontera
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Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts
IUCrJ, 2017 Halogen bonds have been identified in a series of ionic compounds involving bromonium and iodonium cations and several different anions, some also containing hypervalent atoms.
Gabriella Cavallo +5 more
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Crystal structure of 7,8-dichloro-4-oxo-4H-chromene-3-carbaldehyde
Acta Crystallographica Section E: Crystallographic Communications, 2015 In the title compound, C10H4Cl2O3, a dichlorinated 3-formylchromone derivative, the fused-ring system is slightly puckered [dihedral angle between the benzene and pyran rings = 3.66 (10)°].
Yoshinobu Ishikawa
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Halogen Bonds Fabricate 2D Molecular Self-Assembled Nanostructures by Scanning Tunneling Microscopy
Crystals, 2020 Halogen bonds are currently new noncovalent interactions due to their moderate strength and high directionality, which are widely investigated in crystal engineering.
Yi Wang, Xinrui Miao, Wenli Deng
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Comparison of Bifurcated Halogen with Hydrogen Bonds
Molecules, 2021 Bifurcated halogen bonds are constructed with FBr and FI as Lewis acids, paired with NH3 and NCH bases. The first type considered places two bases together with a single acid, while the reverse case of two acids sharing a single base constitutes the ...
Steve Scheiner
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Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors
Molecules, 2018 Ab initio calculations are employed to assess the relative strengths of various noncovalent bonds. Tetrel, pnicogen, chalcogen, and halogen atoms are represented by third-row atoms Ge, As, Se, and Br, respectively.
Wenbo Dong, Qingzhong Li, Steve Scheiner
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