title: Driving Forces Controlling Host-Guest Recognition in Supercritical Carbon Dioxide Solvent.
abstract: The formation of supramolecular host-guest complexes is a very useful and widely employed tool in chemistry. However, supramolecular chemistry in non-conventional solvents such as supercritical carbon dioxide (scCO2 ), one of the most promising sustainable solvents, is still in its infancy. In this work, we explored a successful route to the development of green processes in supercritical CO2 by combining a theoretical approach with experiments. We were able to synthesize and characterize an inclusion complex between a polar aromatic molecule (benzoic acid) and peracetylated-β-cyclodextrin, which is soluble in the supercritical medium. This finding opens the way to wide, environmental friendly, applications of scCO2 in many areas of chemistry, including supramolecular synthesis, reactivity and catalysis, micro and nano-particle formation, molecular recognition, as well as enhanced extraction processes with increased selectivity.
authors.affiliation: SRSMC, UMR 7565, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy, (France) and SRSMC, UMR 7565, CNRS, BP 70239, 54506, Vandœuvre-lès-Nancy, France. Francesca.ingrosso@univ-lorraine.fr.
authors.forename: Francesca
authors.identifier: http://orcid.org/0000-0003-3606-0235
authors.initials: F
authors.lastname: Ingrosso
authors.affiliation: SRSMC, UMR 7565, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy, (France) and SRSMC, UMR 7565, CNRS, BP 70239, 54506, Vandœuvre-lès-Nancy, France.
authors.forename: Muhannad
authors.initials: M
authors.lastname: Altarsha
authors.affiliation: SRSMC, UMR 7565, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy, (France) and SRSMC, UMR 7565, CNRS, BP 70239, 54506, Vandœuvre-lès-Nancy, France.
authors.forename: Florence
authors.initials: F
authors.lastname: Dumarçay
authors.affiliation: CRM2, UMR 7036, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy (France) and CRM2, UMR 7036, CNRS, BP 70239, 54506, Vandœuvre-lès-Nancy, France.
authors.forename: Gwendal
authors.initials: G
authors.lastname: Kevern
authors.affiliation: LRGP, UMR 7274, Université de Lorraine, 54001 Nancy (France) and LRGP, UMR 7274, CNRS, 54001, Nancy, France.
authors.forename: Danielle
authors.initials: D
authors.lastname: Barth
authors.affiliation: SRSMC, UMR 7565, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy, (France) and SRSMC, UMR 7565, CNRS, BP 70239, 54506, Vandœuvre-lès-Nancy, France. alain.marsura@univ-lorraine.fr.
authors.forename: Alain
authors.initials: A
authors.lastname: Marsura
authors.affiliation: SRSMC, UMR 7565, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy, (France) and SRSMC, UMR 7565, CNRS, BP 70239, 54506, Vandœuvre-lès-Nancy, France. manuel.ruiz@univ-lorraine.fr.
authors.forename: Manuel F
authors.initials: MF
authors.lastname: Ruiz-López
mesh_terms: D002245:Carbon Dioxide / Q000737:chemistry*; D002384:Catalysis; D015394:Molecular Structure; D012997:Solvents / Q000737:chemistry*; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D012997:Solvents; D047392:beta-Cyclodextrins; D002245:Carbon Dioxide
keywords: cyclodextrins; green chemistry; host-guest chemistry; molecular dynamics; solvation