Organic Binary and Ternary Cocrystal Engineering Based on Halogen Bonding Aimed at Room-Temperature Phosphorescence.
Sign Up to like & getrecommendations! Published in 2023 at "Advanced materials"
DOI: 10.1002/adma.202211160
Abstract: Recently, there has been intense interest in pure organic room-temperature phosphorescence (ORTP) from cocrystals composed of 1,4-diiodotetrafluorobenzene (DITFB) and a variety of polyaromatic hydrocarbons (PAHs) or their derivatives. To expand the possibility of halogen bonding-based… read more here.
Keywords: crystal packing; temperature phosphorescence; room temperature; halogen bonding ... See more keywords
Halogen Bonding of Organoiodines and Triiodide Anions in (NMe3 Ph)+ Salts.
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DOI: 10.1002/cplu.202100096
Abstract: To study the role of the triiodide (I3 )- anion in establishing various halogen bonding patterns, the trimethylphenylammonium iodide (NMe3 PhI) salt was reacted with diiodine (I2 ) in the presence of a series of… read more here.
Keywords: triiodide anions; halogen bonding; anions nme3; nme3 salts ... See more keywords
Group 14 Central Atoms and Halogen Bonding in Different Dielectric Environments: How Germanium Outperforms Silicon.
Sign Up to like & getrecommendations! Published in 2021 at "ChemPlusChem"
DOI: 10.1002/cplu.202100294
Abstract: The nature of halogen bonding under different dielectric conditions remains underexplored, especially for inorganic systems. The structural and energetic properties of model halogen bonded complexes (R3 M-I-NH3 for R=H and F, and M=C, Si, and… read more here.
Keywords: dielectric environments; different dielectric; halogen bonding; group central ... See more keywords
Aggregation-Induced Electrochemiluminescence and Nitric Oxide Recognition by Halogen Bonding with a Ruthenium(II) Complex.
Sign Up to like & getrecommendations! Published in 2023 at "ChemPlusChem"
DOI: 10.1002/cplu.202200421
Abstract: In this study, a new strategy for NO detection based on the aggregation-induced electrochemical luminescence (AIECL) of a ruthenium-based complex and the halogen bonding effect was developed. First, [Ru(phen)2(phen-Br2)]2+ (phen:1,10-phenanthroline, phen-Br2:3,8-dibromo-1,10-phenanthroline) was synthesized and exhibited aggregation-induced… read more here.
Keywords: halogen; phen; aggregation induced; halogen bonding ... See more keywords
Fixation of CO2 into cyclic carbonates by halogen bonding catalysis.
Sign Up to like & getrecommendations! Published in 2020 at "ChemSusChem"
DOI: 10.1002/cssc.202002525
Abstract: Halogen bonding, parallel to hydrogen bonding, was introduced into the catalytic cycloaddition of carbon dioxide into epoxide (CCE) reactions. A series of halogen bond donor (XBD) catalysts of N -iodopyridinium halide featured with N-I bond… read more here.
Keywords: bonding catalysis; bond; cce reactions; halogen bonding ... See more keywords
Halogen Bonding of N ‐Halosuccinimides with Amines and Effects of Brønsted Acids in Quinuclidine‐Catalyzed Halocyclizations
Sign Up to like & getrecommendations! Published in 2021 at "Helvetica Chimica Acta"
DOI: 10.1002/hlca.202100080
Abstract: An arguable expectation in halogen chemistry is that an amine will react oxidatively with an Nhalosuccinimide (NXS) to form an N-halogenated species bearing a covalent N read more here.
Keywords: halosuccinimides amines; effects nsted; amines effects; halogen bonding ... See more keywords
Halogen bonding between substituted chlorobenzene and trimethylamine: Decisive role of σ–hole and CCl bond breaking energy
Sign Up to like & getrecommendations! Published in 2018 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25511
Abstract: Theoretical studies have been carried out on the halogen bonding interaction between para substituted chlorobenzene (YC6H4Cl, Y = H, NH2, CH3, F, CN, NO2) and N(CH3)3 using ab initio MP2/aug-cc-pVDZ and DFT based wB97XD/6-311++G(d,p) methods. The positive… read more here.
Keywords: bond breaking; bond; halogen bonding; ccl bond ... See more keywords
Revisiting the halogen bonding between phosphodiesterase type 5 and its inhibitors
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3897-z
Abstract: Halogenated ligands are nowadays commonly designed in order to increase their potency against protein targets. Although novel computational methods of evaluating the affinity of such halogenated inhibitors have emerged, they still lack the sufficient accuracy,… read more here.
Keywords: phosphodiesterase type; halogen bonding; bonding phosphodiesterase; type inhibitors ... See more keywords
Electrochemical activation of halogen bonding
Sign Up to like & getrecommendations! Published in 2019 at "Current Opinion in Electrochemistry"
DOI: 10.1016/j.coelec.2019.04.005
Abstract: Abstract In the past, noncovalent interactions have been extensively studied by electrochemical methods. In this context, halogen bonding (XB) has been a long-time overlooked item in the toolbox of supramolecular chemistry. The article is treating… read more here.
Keywords: activation; activation halogen; electrochemistry; electrochemical activation ... See more keywords
Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.05.045
Abstract: Abstract Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting… read more here.
Keywords: metal halogen; transition metal; halogen bonding; metal ... See more keywords
Towards a better understanding of the parameters determining the competition between bromine halogen bonding and hydrogen bonding: An FTIR spectroscopic study of the complexes between bromodifluoromethane and trimethylamine
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.03.123
Abstract: Abstract Previous experimental and theoretical studies of various model compounds dissolved in liquid noble gases have shown that iodine halogen bonding can compete with hydrogen bonding and that experimental information on the thermodynamic equilibria present… read more here.
Keywords: hydrogen; halogen bonding; halogen; hydrogen bonding ... See more keywords