Results 101 to 110 of about 1,209,817 (305)

Supramolecular association in (μ2-pyrazine)-tetrakis(N,N-bis(2-hydroxyethyl)dithiocarbamato)dizinc(II) and its di-dioxane solvate [PDF]

open access: yes, 2017
The crystal and molecular structures of {Zn[S2CN(CH2CH2OH)2]2}2(pyrazine), (1), and its di-dioxane solvate, (2), are described. In each of these, the centrosymmetric, binuclear molecule features a five-coordinated, highly distorted square-pyramidal ...
Arman, Hadi D.   +3 more
core   +1 more source

Theoretical studies on Copper(II) complexes based on different carboxylate ligands: Hirshfeld surface analysis and molecular docking studies [PDF]

open access: green, 2023
Muhammad Nadeem Akhtar   +8 more
openalex   +1 more source

Halogen‐Bond Coupled Halogenated‐π‐Conjugation Enables Giant Birefringence in Hydrogen‐Bonded Organic Frameworks

open access: yesAdvanced Science, EarlyView.
The perfect crystal packing achieved via the halogen‐bond (XB) coupled halogenated‐π‐conjugation strategy effectively induces an ultrahigh birefringence (Δn = 0.97), which exhibits promising potential in polarization control and phase modulation.
Miao‐Bin Xu   +6 more
wiley   +1 more source

Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers : Origin and Effect of Noncovalent Interactions [PDF]

open access: yes, 2015
The support of the University of Aberdeen is gratefully acknowledged. C.W. acknowledges a summer studentship from the Carnegie Trust for the Universities of Scotland. E.P.M.L.
Andreu, Rafael   +7 more
core   +2 more sources

Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)]

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2020
In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C7H9N4O2)[ZnCl3(H2O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 ...
Hicham El Hamdani   +3 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2022
In the title compound, C14H8Br2FN3O2, the 4-fluorophenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 (10)°. Molecules in the crystal are connected by C—H...O and C—H...F hydrogen bonds into layers parallel to (011).
Zeliha Atioğlu   +6 more
doaj   +1 more source

Synthesis, characterization, Hirshfeld surface analysis, antioxidant and selective β-glucuronidase inhibitory studies of transition metal complexes of hydrazide based Schiff base ligand

open access: yesScientific Reports
The synthesis of N′-[(4-hydroxy-3-methoxyphenyl)methylidene] 2-aminobenzohydrazide (H-AHMB) was performed by condensing O-vanillin with 2-aminobenzohydrazide and was characterized by FTIR, high resolution ESI(+) mass spectral analysis, ^1H and ^13C-NMR ...
Farzia   +9 more
semanticscholar   +1 more source

Synthesis, SC XRD based Structure Elucidation, Supramolecular Assembly Exploration Via Hirshfeld Surface Analysis, Computational and QTAIM Study of Functionalized Anilide.

open access: yesActa Chimica Slovenica, 2023
The anilide compound named (Z)-4-(2-methoxy-4-nitrophenyl)amino)-4-oxobut-2-enoic acid (MAOA) has been synthesized by the chemical reaction of 2-methoxy-4-nitroaniline and maleic anhydride in ethyl acetate.
Muhammad Mohsin Tahir   +6 more
semanticscholar   +1 more source

Dual‐State Photophysical Modulation via Bifurcated Hydrogen Bonding in a U‐Shaped Dipyridophenazine‐Cored Donor‐π‐Acceptor‐π‐Donor Fluorophore

open access: yesChemistry – A European Journal, EarlyView.
A donor–π–acceptor–π–donor (D–π–A–π–D) fluorophore bearing a U‐shaped dipyridophenazine core forms bifurcated hydrogen bonds with neutral donors such as sulfonamides or water. This interaction modulates both ground and excited states, enabling red‐shifted emission and enhanced photoluminescence in solution and solid state.
Kimiya Takei   +7 more
wiley   +1 more source

Doping of Graphene Nanoribbons via Functional Group Edge Modification

open access: yes, 2017
We report on the on-surface synthesis of 7 armchair graphene nanoribbons (7-AGNRs) substituted with nitrile (CN) functional groups. The CN groups are attached to the GNR backbone by modifying the 7-AGNR precursor.
Abadia, Mikel   +11 more
core   +1 more source

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