Search results for "Helicene"

showing 6 items of 16 documents

CCDC 1914718: Experimental Crystal Structure Determination

2019

Related Article: Yunbin Hu, Giuseppe M. Paternò, Xiao-Ye Wang, Xin-Chang Wang, Michele Guizzardi, Qiang Chen, Dieter Schollmeyer, Xiao-Yu Cao, Giulio Cerullo, Francesco Scotognella, Klaus Müllen, Akimitsu Narita|2019|J.Am.Chem.Soc.|141|12797|doi:10.1021/jacs.9b05610

Space GroupCrystallographypyrene-fused double [7]carbohelicene methanedithione solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Two strained hexahelicenophanes

2000

The crystal structures of the [6]­helicenes 4,13-(1,10-deca­methyl­ene­dioxy)­hexahelicene, C36H34O2, (I), and 4,13-(1,8-octa­methyl­ene­dioxy)­hexahelicene, C34H30O2, (II), show strong steric interactions between the terminal benzene rings and the poly­methyl­ene­dioxy chains. The shortest ring A and F distances amount to 2.941 (3) and 2.902 (3) A, respectively. The increased steric energy of the ground state is responsible for a significantly lower racemization barrier of (I) and (II) in comparison to the unsubstituted [6]­helicene.

Steric effectsCrystallographychemistry.chemical_compoundHeliceneChemistryStereochemistryCrystal structureGeneral MedicineGround stateRing (chemistry)BenzeneRacemizationGeneral Biochemistry Genetics and Molecular BiologyActa Crystallographica Section C Crystal Structure Communications
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Study of Confined 5-Aza[5]helicene in Ytterbium(III) Bis(2-ethylhexyl) Sulfosuccinate Reversed Micelles

2007

Some relevant physicochemical properties of 5-aza[5]helicene (H5) in solutions of ytterbium bis(2-ethylhexyl) sulfosuccinate (Yb(DEHSS)3) reversed micelles have been investigated by UV-vis-NIR, photoluminescence, and FT-IR techniques with the aim of emphasizing the role played by specific Yb(III)/H5 interactions and confinement effects as driving forces of its binding to reversed micelles, preferential solubilization site, and local photophysical properties. It has been found that the binding strength of 5-aza[5]helicene to reversed micelles, triggered by steric and orientational constrains as well as the water content, is mainly regulated by its interaction with the Yb(III) counterion. Mor…

Steric effectsYtterbiumPhotoluminescencechemistry.chemical_elementLIQUID-CRYSTALSPhotochemistryHeterocyclic Compounds 4 or More RingsMicellechemistry.chemical_compoundSpectroscopy Fourier Transform InfraredMaterials ChemistryWATEROrganic chemistryAOTYtterbiumPhysical and Theoretical ChemistryMicelleschemistry.chemical_classificationAza CompoundsSpectroscopy Near-InfraredCHIROPTICAL PROPERTIESSuccinatesSOLID-SOLID REACTIONSTATESurfaces Coatings and FilmsFT-IRSODIUM BIS(2-ETHYLHEXYL)SULFOSUCCINATEchemistryHeliceneSolubilizationSOLUBILIZATIONLUMINESCENCESpectrophotometry UltravioletCounterionThe Journal of Physical Chemistry B
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ChemInform Abstract: Two Strained Hexahelicenophanes.

2000

The crystal structures of the [6]­helicenes 4,13-(1,10-deca­methyl­ene­dioxy)­hexahelicene, C36H34O2, (I), and 4,13-(1,8-octa­methyl­ene­dioxy)­hexahelicene, C34H30O2, (II), show strong steric interactions between the terminal benzene rings and the poly­methyl­ene­dioxy chains. The shortest ring A and F distances amount to 2.941 (3) and 2.902 (3) A, respectively. The increased steric energy of the ground state is responsible for a significantly lower racemization barrier of (I) and (II) in comparison to the unsubstituted [6]­helicene.

Steric effectschemistry.chemical_compoundCrystallographyHelicenechemistryGeneral MedicineCrystal structureGround stateRing (chemistry)BenzeneRacemizationChemInform
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Synthesis of Nonplanar Graphene Nanoribbon with Fjord Edges

2021

As a new family of semiconductors, graphene nanoribbons (GNRs), nanometer-wide strips of graphene, have appeared as promising candidates for next-generation nanoelectronics. Out-of-plane deformation of π-frames in GNRs brings further opportunities for optical and electronic property tuning. Here we demonstrate a novel fjord-edged GNR (FGNR) with a nonplanar geometry obtained by regioselective cyclodehydrogenation. Triphenanthro-fused teropyrene 1 and pentaphenanthro-fused quateropyrene 2 were synthesized as model compounds, and single-crystal X-ray analysis revealed their helically twisted conformations arising from the [5]helicene substructures. The structures and photophysical properties …

Terahertz radiationCrystallography X-RayBiochemistryCatalysislaw.inventionchemistry.chemical_compoundsymbols.namesakeColloid and Surface ChemistrylawSpectroscopy Fourier Transform InfraredPolycyclic CompoundsDensity Functional TheoryPyrenesbusiness.industryGrapheneCommunicationStereoisomerismGeneral ChemistryNanostructuresSemiconductorHelicenechemistryNanoelectronicsChemical physicssymbolsDensity functional theoryGraphitebusinessRaman spectroscopyGraphene nanoribbons
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Negatively Curved Nanographene with Heptagonal and [5]Helicene Units

2020

Negatively curved nanographene (NG) 4, having two heptagons and a [5]helicene, was unexpectedly obtained by aryl rearrangement and stepwise cyclodehydrogenations. X-ray crystallography confirmed the saddle-shaped structures of intermediate 3 and NG 4. The favorability of rearrangement over helicene formation following radical cation or arenium cation mechanisms is supported by theoretical calculations. NG 4 demonstrates a reversible mechanochromic color change and solid-state emission, presumably benefiting from its loose crystal packing. After resolution by chiral high-performance liquid chromatography, the circular dichroism spectra of enantiomers 4-(P) and 4-(M) were measured and showed …

[PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics]CommunicationArylResolution (electron density)General Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis0104 chemical sciencesCrystalchemistry.chemical_compoundCrystallographyColloid and Surface ChemistrychemistryRadical ionHelicene[PHYS.QPHY]Physics [physics]/Quantum Physics [quant-ph]Arenium ionHeptagonEnantiomer[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]ComputingMilieux_MISCELLANEOUS
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