Results 51 to 60 of about 744,099 (279)
Halogen Bonding in Crystal Engineering [PDF]
Acta Crystallographica Section A Foundations of Crystallography, 2005 The term halogen bonding encompasses any non-covalent interaction involving halogens as electrophilic species. High strength and directionality are the remarkable features of halogen bonding that fully justify its use as a primary intermolecular interaction to dictate molecular self-assembly processes.
METRANGOLO, PIERANGELO +3 more
openaire +8 more sources
Halogen Bonding in (Z)-2-Iodocinnamaldehyde
Molecules, 2013 Based on the bulkiness of the iodine atom, a non-planar conformation was expected for the title compound. Instead, its molecular structure is planar, as experimentally determined using single crystal X-ray diffraction, and confirmed theoretically by DFT ...
Miriam Rossi +3 more
doaj +1 more source
Halogen Bonding in N-Alkyl-3-halogenopyridinium Salts
Crystals, 2021 We performed a structural study of N-alkylated halogenopyridinium cations to examine whether choice of the N-substituent has any considerable effect on the halogen bonding capability of the cations.
Luka Fotović, Vladimir Stilinović
doaj +1 more source
Bulletin of the Chemical Society of Ethiopia, 2017 The theoretical calculations of the complexes formed by pyrazine (PZ) with hypohalous acids (HOX; X= F, Cl, Br and I) have been carried out at the MP2/6-311++G(2d,2p) computational level.
A. Zabardasti +2 more
doaj +1 more source
, 2022 Six novel halogen-bonded cocrystals of 1,3,5-triiodo-2,4,6-trifluorobenzene with three structural isomers of benzoylpyridine have been synthesized mechanochemically and by crystallization from solution, five of which were structurally characterized.
Nea Baus Topić (12557492) +4 more
core +1 more source
Halogen-Bond-Catalyzed Addition of Carbon-Based Nucleophiles to N‑Acylimminium Ions
, 2019 N-acylimminium ions are an important class of synthetic intermediates to produce diverse products upon treatment with different nucleophiles. Most of the reported catalytic protocol involved moisture-sensitive Lewis acids or transition metal.
Yuk-Cheung Chan +3 more
core +1 more source
Effect of light-curing units in shear bond strength of metallic brackets: an in vitro study
Journal of Applied Oral Science, 2010 OBJECTIVES: To determine the influence of the light curing units on the shear bond strength of orthodontic brackets. MATERIAL AND METHODS: Seventy-two premolars were divided into six groups (n=12): Group I: brackets bonded with Transbond and ...
Luciana Borges Retamoso +3 more
doaj +1 more source
Halogen-Bond-Based Molecular Self-Assembly on Graphene Surface: A First-Principles Study
, 2017 The formation of halogen-bond-based 2D supramolecular assemblies on solid surfaces has become a hot research topic in recent years. Herein, we report a theoretical study of the halogen-bonded network formation of pyridine derivatives and aryl–halide ...
Yunxiang Lu (1305909) +4 more
core +1 more source
Bidentate Chiral Bis(imidazolium)-Based Halogen Bond Donors: Synthesis and First Applications in Enantioselective Recognition and Catalysis [PDF]
, 2019 Even though halogen bonding – the noncovalent interaction between electrophilic halogen substituents and Lewis bases – has now been established in molecular recognition and catalysis, its use in enantioselective processes is still very little explored ...
Raphael, Stoll +3 more
core +2 more sources
In silico and in vitro exploration of a tyrosinase for biocatalytic production of catechols
FEBS Open Bio, EarlyView.Tyrosinase from Ralstonia pseudosolanacearum is a promising biocatalyst for producing valuable catechols from monophenol substrates. This tyrosinase is uniquely suited to this due to its high monophenolase : diphenolase ratio. We combined in silico docking and in vivo kinetic characterisation of this tyrosinase with 11 industrially relevant monophenols,
James Britton +6 more
wiley +1 more source