Results 41 to 50 of about 1,194,003 (337)

A robust and tunable halogen bond organocatalyzed 2-deoxyglycosylation involving quantum tunneling

open access: yesNature Communications, 2020
The development of noncovalent halogen bonding (XB) catalysis is rapidly gaining traction, as isolated reports documented better performance than the well-established hydrogen bonding thiourea catalysis.
Chunfa Xu   +3 more
semanticscholar   +1 more source

Phosphine Oxides as Spectroscopic Halogen Bond Descriptors: IR and NMR Correlations with Interatomic Distances and Complexation Energy

open access: yesMolecules, 2020
An extensive series of 128 halogen-bonded complexes formed by trimethylphosphine oxide and various F-, Cl-, Br-, I- and At-containing molecules, ranging in energy from 0 to 124 kJ/mol, is studied by DFT calculations in vacuum.
Alexei S. Ostras’   +3 more
doaj   +1 more source

Comparison of Shear Bond Strengths of Orthodontic Brackets Bonded with Three Different Curing Techniques

open access: yesTurkish Journal of Orthodontics, 2005
The aim of our study was to compare shear bond strengths of orthodontic brackets bonded with chemically cured, halogen light cured and LED cured adhesive systems. 45 extracted human premolar teeth were randomly divided into 3 groups.
Hakan Türkkahraman   +1 more
doaj   +1 more source

Interplay between N∙∙∙H, N∙∙∙X and π∙∙∙X interactions in the complex pairing of pyrazine with hypohalous acids: A NBO and QTAIM (quantum theory of atoms in molecules) analysis

open access: yesBulletin 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

Crystal structure of tetrabutylammonium bromide–1,2-diiodo-3,4,5,6-tetrafluorobenzene–dichloromethane (2/2/1)

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2015
The crystallization of a 1:1 molar solution of 1,2-diiodo-3,4,5,6-tetrafluorobenzene (o-DITFB) and tetrabutylammonium bromide (n-Bu4NBr) from dichloromethane yielded pure white crystals of a halogen-bonded compound, C16H36N+·Br−·C6F4I2·0.5CH2Cl2 or [(n ...
Jasmine Viger-Gravel   +2 more
doaj   +1 more source

Halogen Bonding in (Z)-2-Iodocinnamaldehyde

open access: yesMolecules, 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

open access: yesCrystals, 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

Bidentate Chiral Bis(imidazolium)‐Based Halogen‐Bond Donors: Synthesis and Applications in Enantioselective Recognition and Catalysis

open access: yesAngewandte Chemie, 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 rarely explored ...
R. L. Sutar   +3 more
semanticscholar   +1 more source

Halogen-Bonded Photoresponsive Materials

open access: yes, 2014
The aim of the present review is to illustrate to the reader the state of the art on the construction of supramolecular azobenzene-containing materials formed by halogen bonding. These materials include several examples of polymeric, liquid crystalline or crystalline species whose performances are either superior to the corresponding performances of ...
Saccone, Marco   +5 more
openaire   +7 more sources

Effect of light-curing units in shear bond strength of metallic brackets: an in vitro study

open access: yesJournal 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

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