Journal ArticleDOI
Hexaiodobenzene: a redetermination at 100 k
TLDR
The X-ray crystal structure of hexa-iodo-benzene, C6I6, was reported with greatly improved precision after redetermination at 100 K as mentioned in this paper.Abstract:
The X-ray crystal structure of hexaiodobenzene, C6I6, is reported with greatly improved precision after redetermination at 100 K. The compound is isostructural with hexachlorobenzene and hexabromobenzene. The molecule lies on an inversion centre.read more
Citations
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Journal ArticleDOI
The Halogen Bond
Gabriella Cavallo,Pierangelo Metrangolo,Pierangelo Metrangolo,Roberto Milani,Tullio Pilati,Arri Priimagi,Giuseppe Resnati,Giancarlo Terraneo +7 more
TL;DR: The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.
Journal ArticleDOI
Halogen Bonding: A Halogen-Centered Noncovalent Interaction Yet to Be Understood
TL;DR: In this article, the Independent Gradient Model (IGM) was used for probing strong and weak halogen-assisted noncovalent interactions in molecular domains, especially in the weak bonding regime.
Journal ArticleDOI
Halogenated Benzene Cation Radicals
Matthias Molski,Doreen Mollenhauer,Sebastian Gohr,Beate Paulus,Monther A. Khanfar,Hashem Shorafa,Steven H. Strauss,Konrad Seppelt +7 more
TL;DR: Interestingly, the structures of the cation radicals 2,4,6-[C( 6)H(3)F(3)](+) and C(6)I(6)(+) did not exhibit Jahn-Teller distortions, and two low-symmetry geometries were observed in the same crystal.
Journal ArticleDOI
Four-Center Nodes: Supramolecular Synthons Based on Cyclic Halogen Bonding.
Mariya A. Kryukova,Daniil M. Ivanov,Mikhail A. Kinzhalov,Alexander S. Novikov,Andrey S. Smirnov,Nadezhda A. Bokach,Vadim Yurievich Kukushkin +6 more
TL;DR: Results of DFT calculations indicate that all contacts within the nodes are typical noncovalent interactions with the estimated strengths in the range 0.6-2.9 kcal/mol.
Journal ArticleDOI
Influence of substituents in aromatic ring on the strength of halogen bonding in iodobenzene derivatives
TL;DR: In this paper, the electron-withdrawing substituents with negative mesomeric effect favor m-iodines to act as XB donors and o-and p-ideal acceptors.
References
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Journal ArticleDOI
Isostructurality, Polymorphism and Mechanical Properties of Some Hexahalogenated Benzenes: The Nature of Halogen⋅⋅⋅Halogen Interactions
C. Malla Reddy,Michael T. Kirchner,Ravi C. Gundakaram,K. Anantha Padmanabhan,Gautam R. Desiraju +4 more
TL;DR: Both chemical and geometrical models need to be considered for X...X interactions in hexahalogenated benzenes, where nonspecificity of the weak interlayer interactions here is demonstrated by the structure of twinned crystals of these compounds.
Journal ArticleDOI
Direct Aromatic Periodination
TL;DR: Periodation par l'acide periodique et l'iode dans H 2 SO 4 de benzene, nitro-and -chloro-benzenes, acide benzoique, anhydride phtalique et toluene as discussed by the authors.