Carbohelicenes and Heterohelicenes

Laarhoven, W. H.; Prinsen, W. J. C.

doi:10.1515/9783112539347-003

Cited by 9 publications

(11 citation statements)

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“…Chirality can be even due to a helical shape of the molecule which can be left-or right handed in orientation. 5 In the last decades, discrete mathematics and qualitative descriptions of the spatial features of molecules have provided a large development of theoretical stereochemistry. 6 The aim of these studies is related to the achievement of formal approaches to stereochemical issues of classification.…”

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confidence: 99%

Algebraic structure of central molecular chirality starting from Fischer projections

Capozziello

Lattanzi

2003

Chirality

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Algebraic structure of central molecular chirality starting from Fischer projections

Capozziello

Lattanzi

2003

Chirality

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“…2,3 Benefitting from their helically molecular topology and intrinsically molecular distortion, they possess a series of intriguing chiral, physical, chemical, electronic and optical properties. [4][5][6][7][8] Unlike common polymers, these p-conjugated materials have high aspect ratio, shape persistence, elasticity, etc. As a result of these unique properties, carbohelicenes and their derivatives hold great potential for a variety of applications in domains such as molecular devices, asymmetric catalysis, molecular recognition and self-assemblies, and materials science.…”

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confidence: 99%

Extraordinary deformation capacity of smallest carbohelicene springs

Šesták

et al. 2015

Phys. Chem. Chem. Phys.

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The extraordinary deformation and loading capacity of nine different [∞]carbohelicene springs under uniaxial tension up to their fracture were computed using the density functional theory. The simulations comprised either the experimentally synthetized springs of hexagonal rings or the hypothetical ones that contained irregularities (defects) as, for example, pentagons replacing the hexagons. The results revealed that the presence of such defects can significantly improve mechanical properties. The maximum reversible strain varied from 78% to 222%, the maximum tensile force varied in the range of 5 nN to 7 nN and, moreover, the replacement of hexagonal rings by pentagons or heptagons significantly changed the location of double bonds in the helicenes. The fracture analysis revealed two different fracture mechanisms that could be related to the configurations of double and single bonds located at the internal atomic chain. Simulations performed with and without van der Waals interactions between intramolecular atoms showed that these interactions played an important role only in the first deformation stage.

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“…The unique helical conjugation of helicenes give rise to their compelling potential for use in wide range of areas, for example, as nonlinear optical materials, organic semiconductors, molecular sensors, and molecular motors . Early research mainly focused on pristine carbohelicenes . Nevertheless, the fluorescence quantum yields of such all-carbon helicenes are not satisfactory for applications in optoelectronics because of the relatively low radiative rate upon photoexcitation .…”

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