Results 121 to 130 of about 169 (151)
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On the directionality of halogen bonding
Physical Chemistry Chemical Physics, 2013The origin of the high directionality of halogen bonding was investigated quantum chemically by a detailed comparison of typical adducts in two different orientations: linear (most stable) and perpendicular. Energy decomposition analyses revealed that the synergy between charge-transfer interactions and Pauli repulsion are the driving forces for the ...
Stefan M, Huber +4 more
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2014
Because of its expected applicability for modulation of molecular recognition phenomena in chemistry and biology, halogen bonding has lately attracted rapidly increasing interest. As most of these processes proceed in solution, the understanding of the influence of solvents on the interaction is of utmost importance.
Anna-Carin C. Carlsson +2 more
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Because of its expected applicability for modulation of molecular recognition phenomena in chemistry and biology, halogen bonding has lately attracted rapidly increasing interest. As most of these processes proceed in solution, the understanding of the influence of solvents on the interaction is of utmost importance.
Anna-Carin C. Carlsson +2 more
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Halogen Bonding Molecular Capsules
Angewandte Chemie International Edition, 2015AbstractMolecular capsules based solely on the interaction of halogen bonding (XB) are presented along with their host–guest binding properties in solution. The first example of a well‐defined four‐point XB supramolecular system is realized by decorating resorcin[4]arene cavitands with polarized halogen atoms for dimerization with tetra(4‐pyridyl ...
Dumele O, Trapp N, Diederich F
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Clˉ as the halogen bond acceptor: studies on strong halogen bonds
Structural Chemistry, 2017The Clˉ anion as the halogen bond acceptor, the diiodotetrafluoroethane I(CF2)2I and its derivatives I(MF2)nI (M = C, Si, Ge, Sn) as the halogen bond donor, and the strong halogen bonds could be formed. The halogen bonds between I(MF2)nI and Clˉ have been designed and investigated by Moller–Plesset perturbation/aug-cc-pVDZ calculations together with ...
Jiaojiao Wang +3 more
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Halogen Bonding in Supramolecular Chemistry
Angewandte Chemie International Edition, 2008AbstractHalogen bonding is the noncovalent interaction where halogen atoms function as electrophilic species. The energetic and geometrical features of the interaction are described along with the atomic characteristics that confer molecules with the specific ability to interact through this interaction.
METRANGOLO, PIERANGELO +4 more
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2014
Halogens are atypical elements in biology, but are common as substituents in ligands, including thyroid hormones and inhibitors, which bind specifically to proteins and nucleic acids. The short-range, stabilizing interactions of halogens - now seen as relatively common in biology - conform generally to halogen bonds characterized in small molecule ...
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Halogens are atypical elements in biology, but are common as substituents in ligands, including thyroid hormones and inhibitors, which bind specifically to proteins and nucleic acids. The short-range, stabilizing interactions of halogens - now seen as relatively common in biology - conform generally to halogen bonds characterized in small molecule ...
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Halogen Bonding in Supramolecular Synthesis
2014Supramolecular synthesis is typically limited to one-pot reactions because of the reversibility of non-covalent bonds, and to overcome this restriction we need to be able to rank the relative structural importance of such interactions and build synthetic methods to utilize synthons which can operate side-by-side without interference. Halogen bonds have
Christer B, Aakeröy +1 more
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Halogen Bonding: An Interim Discussion
ChemPhysChem, 2013AbstractHalogen bonding is a noncovalent interaction that is receiving rapidly increasing attention because of its significance in biological systems and its importance in the design of new materials in a variety of areas, for example, electronics, nonlinear optical activity, and pharmaceuticals.
Peter, Politzer, Jane S, Murray
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Halogen Bond Catalyzed Bromocarbocyclization
Angewandte Chemie International Edition, 2018AbstractA halogen bond catalyzed bromo‐carbocyclization of N‐cinnamyl sulfonamides and O‐cinnamyl phenyl ethers has been developed. N‐methyl 4‐iodopyridinium triflate is used as the halogen‐bonding organocatalyst and the reaction is highly chemoselective.
Yuk‐Cheung Chan, Ying‐Yeung Yeung
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Halogen Bonding in a Crystalline Sponge
Inorganic Chemistry, 2019Host-guest interactions are the key to the supramolecular chemistry and the further application of the receptors to study the structural details of the small guest molecules. Crystalline sponges as a kind of supramolecular receptor need to be investigated in terms of the binding ability with the guests.
Liangqian Yuan, Siyu Li, Fangfang Pan
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