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http://repositorio.ufla.br/jspui/handle/1/29571| Title: | Host–guest intermolecular hydrogen bonds and stability in aqueous media: the benzaldehyde/β-CD case study |
| Keywords: | Host-guest chemistry Cyclodextrin Hydrogen bond Química host-convidado Ciclodextrina Ligação de hidrogênio |
| Issue Date: | Oct-2017 |
| Publisher: | Springer |
| Citation: | 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. |
| Abstract: | 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 |
| Appears in Collections: | DQI - Artigos publicados em periódicos |
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