Results 51 to 60 of about 776,526 (154)
Halogen-Bonding-Driven Self-Assembly of Solvates of Tetrabromoterephthalic Acid
Crystals, 2021 Halogen bonding is one of the most interesting noncovalent attractions capable of self-assembly and recognition processes in both solution and solid phase.
Nucharee Chongboriboon +5 more
doaj +1 more source
, 2019 The encapsulation of metal complexes within halogen-bonded networks may lead to modulation of their properties in the solid state without the need to chemically incorporate donor or acceptor moieties on the metal complex itself.
Michael C. Pfrunder (7161443) +4 more
core +1 more source
Halogen Bonding Involving CO and CS with Carbon as the Electron Donor
Molecules, 2017 MP2/aug’-cc-pVTZ calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH2.
Janet E. Del Bene +2 more
doaj +1 more source
Halogen bond mediated crystal engineering of metal complexes [PDF]
, 2014 This project explored the potential for halogen bonds to predictably organise metal-containing molecular building blocks in crystalline materials. A novel method for the halogen bond mediated crystal engineering of metal complexes was discovered, which ...
Pfrunder, Michael Craig
core
MolbankThe title compound 2-iodopyridin-3-yl acetate was obtained by acetylation of the OH group of 2-iodo-3-hydroxypyridine. Knowing that the hydroxyl group, as a strong H-bond donor in halogenated hydroxypyridines, usually directs supramolecular packing and ...
Mihaela Cristea +3 more
doaj +1 more source
Halogen Bond Involving Hypervalent Halogen: CSD Search and Theoretical Study
, 2016 The Cambridge Structure Database search shows that there are over seventy crystal structures containing halogen bonds in which hypervalent halogens, not monovalent halogens as usual, behave as acceptors of electron density. The nature of the halogen bond
Weizhou Wang (1516090)
core +1 more source
Computational Study on the Route of Cooperative Organocatalysis Utilizing Thiourea and Halogen Bond Donor Mixture [PDF]
, 2023 A computational analysis of possible routes of cooperative catalysis involving hydrogen bond donating thiourea and halogen bond donating organocatalysts has been carried out at the M06-2X/SDD level of theory using the solvation model based on density ...
Alexander S., Novikov +1 more
core +2 more sources
Halogen-Bond-Assisted Photoluminescence Modulation in Carbazole-Based Emitter
, 2018 Halogen bonding between a carbazole-based, pyridine-substituted organic semiconductor and a common halogen-bond donor (pentafluoroiodobenzene) yields efficient halogen-bond-driven fluorescence modulation in solution.
Vivo, Paola +7 more
core +1 more source
New Type of Halogen Bond: Multivalent Halogen Interacting with π- and σ-Electrons
Molecules, 2017 MP2/aug-cc-pVTZ calculations were performed for complexes of BrF3 and BrF5 acting as Lewis acids through the bromine centre, with species playing a role of Lewis base: dihydrogen, acetylene, ethylene, and benzene. The molecular hydrogen donates electrons
Sławomir J. Grabowski
doaj +1 more source
Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds
Molecules, 2020 A computational study of the iodide discrimination by different neutral and cationic iodotriazole halogen bonding hosts was carried out by means of Density Functional Theory.
Iñigo Iribarren +2 more
doaj +1 more source