Keywords: پیوند هالوژن; Halogen bonding; Raman spectroscopy; Binary mixtures; Lewis basicity;
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Keywords: پیوند هالوژن; Halide complexes; Polyhalides; Supramolecular interactions; Halogen bonding;
Keywords: پیوند هالوژن; QM/MM; quantum mechanics/molecular mechanics; XB; halogen bonding; X; halogen; D; donor group; A; acceptor group; ESP; electrostatic potential; HB; hydrogen bonding; PDB; protein data bank; DFT; density functional theory; RESP; restrained electrostatic po
Keywords: پیوند هالوژن; Solvatochromism; Halogen bonding; Hemicyanine dye; LDS-698; Pyridinium cation; ICT state;
Keywords: پیوند هالوژن; Imidazolium salt; Hydrogen bonding; Anion-Ï interaction; Ï-Ï stacking; Halogen bonding; Crystal structure; DFT calculations;
Metric engineering in hybrid perfluorocarbon-hydrocarbon cocrystals
Keywords: پیوند هالوژن; Self-assembly; Halogen bonding; Cocrystals; Supramolecular chemistry; Perfluoroalkanes;
Keywords: پیوند هالوژن; Iodoperfluoroarene; Solid-liquid interface; Halogen bonding; Adsorption; SAX; Separation;
Keywords: پیوند هالوژن; PEGylated; Iodine; Halogen bonding; Radioactive;
Keywords: پیوند هالوژن; Sensor materials; Sulfonphthaleine; Dyes; Halochromism; Halogen bonding; Polyamide 6;
Keywords: پیوند هالوژن; Halogen bonding; Anomeric effect; Interhalogen compounds; Post-Hartee-Fock ab initio methods; Energy decomposition analysis;
Keywords: پیوند هالوژن; Uranyl complexes; X-ray crystal structures; Uranyl organic frameworks; Halogen bonding; 4,4-Bipyridine
Keywords: پیوند هالوژن; Hydrogen bonding; Halogen bonding; Hypohalous acids; Phosphine;
Keywords: پیوند هالوژن; Halogen bonding; Proteins; Non-natural amino acids; Complexes; Stabilization centers;
Reorientation of DABCO (1,4-diazabicyclo[2.2.2]octane) in halogen-bonded molecular complex DABCO-2(C6F5I)
Keywords: پیوند هالوژن; NMR; Spin-lattice relaxation; Reorientation; Halogen bonding;
Using protonation to change a Clâ¯N halogen bond in N-Base:ClOH complexes to a Clâ¯O halogen bond
Keywords: پیوند هالوژن; Protonation; Halogen bonding; Charge-assisted halogen bonds; EOM-CCSD spin-spin coupling constants; Charge-transfer energies; Bonding parameters;
Pnicogen, halogen and hydrogen bonds in (E)-1-(2,2-dichloro-1-(2-nitrophenyl)vinyl)-2-(para-substituted phenyl)-diazenes
Keywords: پیوند هالوژن; Pnicogen bonding; Halogen bonding; Hydrogen bonding; Noncovalent interactions; Azo dyes;
Pyrroloquinoline scaffold-based 5-HT6R ligands: Synthesis, quantum chemical and molecular dynamic studies, and influence of nitrogen atom position in the scaffold on affinity
Keywords: پیوند هالوژن; 1H-Pyrrolo[2,3-f]quinoline; 1H-Pyrrolo[3,2-h]quinoline; 5-HT6 receptor; Arylsulfonyl-pyrroloquinoline derivatives; Quantum chemical calculations; Molecular dynamic; Halogen bonding; Hydrogen bonding;
Structures and anti-inflammatory properties of 4-halogenated -mofebutazones
Keywords: پیوند هالوژن; Hydrogen bonds; Ïâ¯Ï; Ïâ¯Ï interactions; Halogen bonding; Small-angle-X-ray scattering; Osmometry; Solution structures; ASNDUIFYAJSJNU-ZDUSSCGKSA-N; ZQFKAGZFQCJUFZ-CYBMUJFWSA-N; KRLHWXAPKLQRFL-WOGJKAQESA-N;
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
Keywords: پیوند هالوژن; Noncovalent interactions; Halogen bonding; Hydrogen bonding; FTIR; Cryospectroscopy;
Tetrel, halogen and hydrogen bonds in bis(4-((E)-(2,2-dichloro-1-(4-substitutedphenyl)vinyl)diazenyl)phenyl)methane dyes
Keywords: پیوند هالوژن; Tetrel bonding; Halogen bonding; Hydrogen bonding; Noncovalent interactions; Bis-azo dyes;
The crystal structures of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)-3-benzyl-methylimidazolium bromides
Keywords: پیوند هالوژن; Imidazolium salt; Anion-Ï interaction; Ï-Ï stacking; Halogen bonding; Crystal structure; DFT calculation;
The effects of cation-Ï and anion-Ï interactions on halogen bonds in the [Nâ¯Xâ¯N]+ complexes: A comprehensive theoretical study
Keywords: پیوند هالوژن; Halogen bonding; bis(pyridine)halonium; Halonium ion; Symmetry; Anion-Ï and cation-Ï interaction; DFT; QAIM; NCI; NMR;
Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study
Keywords: پیوند هالوژن; Halogenated Schiff base ligand; DNA binding; Halogen bonding; In vitro assay;
The crystal structures of 1-(4-halo-2,3,5,6-tetrafluorophenyl)-3-benzylimidazolium bromides: The relative importance of anion-Ï, lone pair-Ï, ÏÏ stacking and halogen bonding interactions
Keywords: پیوند هالوژن; Imidazolium salt; Anion-Ï interaction; Lone pair-Ï interaction; Ï-Ï stacking; Halogen bonding; Crystal structure;
Rotational spectrum of the tetrafluoromethane-ethylene oxide
Keywords: پیوند هالوژن; Molecular clusters; Halogen bonding; Freons; Supersonic expansion; Rotational spectroscopy;
Structural characterization of new fluorinated mesogens obtained through halogen-bond driven self-assembly
Keywords: پیوند هالوژن; Self-assembly; Halogen bonding; Liquid crystals; Reactive mesogens; Diiodoperfluorocarbons;
The impact of the halogen bonding on D2 and 5-HT1A/5-HT7 receptor activity of azinesulfonamides of 4-[(2-ethyl)piperidinyl-1-yl]phenylpiperazines with antipsychotic and antidepressant properties
Keywords: پیوند هالوژن; Azinesulfonamides; Semi-rigid long-chain arylpiperazines; Multimodal dopamine/serotonin ligands; Multi-target ligands; Halogen bonding; Schizophrenia; Depression;
Dimers or trimers? A characterization of the halogen bonded complexes of CF3X (XÂ =Â I or Br) with dimethyl ether and acetone in cryosolutions
Keywords: پیوند هالوژن; Cryosolutions; Halogen bonding; Self-association; Infrared; Least-squares fitting;
Molecular design and validation of halogen bonding orthogonal to hydrogen bonding in breast cancer MDM2-peptide complex
Keywords: پیوند هالوژن; Halogen bonding; Hydrogen bonding; MDM2; Peptide; Breast cancer;
Rational derivation of CETP self-binding helical peptides by Ï-Ï stacking and halogen bonding: Therapeutic implication for atherosclerosis
Keywords: پیوند هالوژن; Cholesteryl ester transfer protein; Ï-Ï stacking; Halogen bonding; Peptide; Atherosclerosis;
Lone pairâ¯Ï interactions involving carbonyl Ï-systems: Experimental and theoretical study of the complexes of COF2 and COFCl with dimethyl ether
Keywords: پیوند هالوژن; lpâ¯Ï interactions; Halogen bonding; FTIR; Cryospectroscopy;
Non-covalent C–Cl…π interaction in acetylene-carbon tetrachloride adducts: Matrix isolation infrared and ab initio computational studies
Keywords: پیوند هالوژن; Halogen bonding; Non-covalent interaction; matrix isolation; infrared; AIM and NBO analyses
Neutral bimetallic rhenium(I)-containing halogen and hydrogen bonding acyclic receptors for anion recognition
Keywords: پیوند هالوژن; Anions; Anion receptor; Halogen bonding; Noncovalent interactions; Rhenium complex; Supramolecular chemistry;
Halogen bonding in the antibacterial 1,2,4-triazole-3-thione derivative - Spectroscopic properties, crystal structure and conformational analysis
Keywords: پیوند هالوژن; YUYOCLYQZCTTAV-SBSWQMLXSA-N; Conformational analysis; Rotational disorder; Molecular electrostatic potential; Mercaptotriazoles; Halogen bonding;
Competitive solubilization of 4,4′-dibromodiphenyl ether, naphthalene, and pyrene mixtures in Triton X series surfactant micelles: The effect of hydrophilic chains
Keywords: پیوند هالوژن; 4,4′-Dibromodiphenyl ether; Naphthalene; Pyrene; Halogen bonding; Solubilization; Cosolubilization
Cooperative effects and energy barriers to bromonium ion transfer in cyclic (BrX)n halogen-bonded clusters (X = F, OH, or NH2; n = 3-5): An ab initio study
Keywords: پیوند هالوژن; Halogen bonding; Halonium ion transfer; Halogen bond cooperativity; Cyclic halogen-bonded clusters;
Synthesis, structure and DFT calculations of the first bioctahedral chalcohalide rhenium cluster complex (Et4N)4(Me2NH2)2[Re12CS17Br6]
Keywords: پیوند هالوژن; Bioctahedral rhenium clusters; Chalcohalides; Halogen bonding; Crystal structure; DFT calculations;
A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray crystal structure and theoretical DFT study
Keywords: پیوند هالوژن; μ3-Oxo bridge; Heterotrinuclear complexes; Halogen bonding; X-ray crystallography; DFT calculations
Cooperativity between the halogen bonding and halogen-hydride bonding in NCXâ¯NCXâ¯HMgY complexes (X = F, Cl, Br; Y = H, F, Cl, Br, CH3, Li)
Keywords: پیوند هالوژن; Cooperativity; Halogen bonding; Halogen-hydride bonding; DFT;
Characterizing the multiple non-covalent interactions in N, S-heterocycles-diiodine complexes with focus on halogen bonding
Keywords: پیوند هالوژن; Halogen bonding; Multiple non-covalent interactions; Electron density; Molecular electrostatic potential; Atomic dipole moment; Alkenylthioquinoline-diiodine complex;
Insights into the impact of shape and electronic properties on the enantioseparation of polyhalogenated 4,4′-bipyridines on polysaccharide-type selectors. Evidence of stereoselective halogen bonding interactions
Keywords: پیوند هالوژن; Atropisomers; Bipyridines; Chiral recognition; Electrostatic potential surface; Halogen bonding; Polysaccharide-based chiral stationary phases
Assembling supramolecular networks by halogen bonding in coordination polymers driven by 5-bromonicotinic acid
Keywords: پیوند هالوژن; Halogen bonding; 5-Bromonicotinic acid; Coordination compound; Photoluminescence; Magnetism;
Complexation of two macrocycles for amide, saccharide, and halide derivatives: the capacity of 1,2,3-triazole as hydrogen and halogen bonding acceptors
Keywords: پیوند هالوژن; Molecular recognition; Hydrogen bonding; Halogen bonding; 1,2,3-Triazole; Amide;
Aqua complex of iron(III) and 5-chloro-3-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-2-hydroxybenzenesulfonate: Structure and catalytic activity in Henry reaction
Keywords: پیوند هالوژن; Arylhydrazone of 5,5-dimethylcyclohexane-1,3-dione; Water-soluble iron(III) complex; Halogen bonding; Henry reaction;
Compound model-morphed potentials contrasting OC-79Br35Cl with the halogen bonded OC-35Cl2 and hydrogen-bonded OC-HX (X = 19F, 35Cl, 79Br)
Keywords: پیوند هالوژن; Halogen bonding; Structure and molecular dynamics; Compound-model morphing; Infrared spectroscopy; Quantum cascade lasers;
Two metal–organic coordination polymers assembled from a flexible iodo-dicarboxylate ligand and N-donor ancillary ligands
Keywords: پیوند هالوژن; Coordination polymer; Halogen bonding; Hydrogen bonds; Interpenetration
Competition of hydrogen, halogen, and pnicogen bonds in the complexes of HArF with XH2P (X = F, Cl, and Br)
Keywords: پیوند هالوژن; Hydrogen bonding; Halogen bonding; Pnicogen bonding; Competition; HArF
Crystal structure of iodoform at 106 K and of the adduct CHI3⋅3(C9H7N). Iodoform as a building block of co-crystals
Keywords: پیوند هالوژن; Low temperature crystal structure; Halogen bonding; Weak interactions; Crystal packing
The effects of P-T changes on intermolecular interactions in crystal structure of iodoform
Keywords: پیوند هالوژن; High pressure X-ray diffraction; Halogen bonding; Electrostatic potential; Hirshfeld surfaces;
Synthesis and structural insights of substituted 2-iodoacetanilides and 2-iodoanilines
Keywords: پیوند هالوژن; Iodination; Density functional theory; Equilibrium geometry; Vibrational frequencies; Frontier molecular orbitals; Halogen bonding