Host–guest intermolecular hydrogen bonds and stability in aqueous media: the benzaldehyde/β-CD case study

Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/29571

Título:	Host–guest intermolecular hydrogen bonds and stability in aqueous media: the benzaldehyde/β-CD case study
Palavras-chave:	Host-guest chemistry Cyclodextrin Hydrogen bond Química host-convidado Ciclodextrina Ligação de hidrogênio
Data do documento:	Out-2017
Editor:	Springer
Citação:	ANCONI, C. P. A. et al. Host–guest intermolecular hydrogen bonds and stability in aqueous media: the benzaldehyde/β-CD case study. Journal of Inclusion Phenomena and Macrocyclic Chemistry, Dordrecht, v. 89, n. 1-2, p. 137-142, Oct. 2017.
Resumo:	The formation of a host–guest system is driven by several contributions. The solvent plays a fundamental role. Usually, in theoretical investigations concerning cyclodextrin inclusion compounds hydrogen bonds between host and guest are studied. Our calculations for the β-cyclodextrin/benzaldehyde semicarbazone system show that hydrogen bonds between host and guest may not determine the preferable guest orientation. In addition, gas and aqueous phase theoretical trends can be distinct in studies concerning CD-based inclusion compounds.
URI:	https://link.springer.com/article/10.1007/s10847-017-0734-4 http://repositorio.ufla.br/jspui/handle/1/29571
Aparece nas coleções:	DQI - Artigos publicados em periódicos

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