Sulphonamide chalcones: conformationally diverse yet optically similar
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2019
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Resumo
In this paper, we present the synthesis of three chalcone analogues and their spectroscopic, structural
and optical characterization. The influence of the different substituents on the crystalline structure and
on their optical properties was evaluated. The effects of derivatization on the chalcones, both at the
molecular and supramolecular levels, were evaluated. Also, the molar absorptivity, the first hyperpolarizability b and the two-photon absorption cross-section s2PA were obtained. The extended structures in each compound are stabilized by hydrogen-bonded dimers and by a pseudo-ring formed from an
intramolecular H-bond. It was observed that more voluminous substituents, such as chlorine, contribute
to the deviation from planarity. Although many effects were observed in molecular structures of these
analogues when in solid form, experimental results of linear and nonlinear optical (NLO) properties
showed that the optical properties were not as much influenced in solution. In addition, and to support
some experimental results, the theoretical first hyperpolarizability was calculated and showed good
agreement with experimental results, which are approximately 10 x 10-30 cm5/esu.
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Crystal structure, Sulphonamide chalcones, Optics properties
Citação
CUSTODIO, Jean M. F. et al. Sulphonamide chalcones: conformationally diverse yet optically similar. Journal of Molecular Structure, Amsterdam, v. 1198, e126896, 2019. DOI: 10.1016/j.molstruc.2019.126896. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0022286019309871?via%3Dihub. Acesso em: 27 set. 2023.