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Solute-solvent interactions in cryosolutions: a study of halothane-ammonia complexes.

dc.contributor.authorMichielsen, Bart
dc.contributor.authorDom, Johan J. J.
dc.contributor.authorvan der Veken, Benjamin J.
dc.contributor.authorHesse, Susanne
dc.contributor.authorSuhm, Martin A.
dc.contributor.authorHerrebout, Wouter A.
dc.date.accessioned2014-07-21T14:18:31Z
dc.date.available2014-07-21T14:18:31Z
dc.date.issued2012-05-14
dc.identifier.citationMichielsen, Bart; Dom, Johan J J; van der Veken, Benjamin J; Hesse, Susanne; Suhm, Martin A; Herrebout, Wouter A (2012): Solute-solvent interactions in cryosolutions: a study of halothane-ammonia complexes. - Physical chemistry chemical physics : PCCP, Vol. 14, Nr. 18, p. 6469-78
dc.relation.ISSN1463-9084
dc.identifier.urihttp://resolver.sub.uni-goettingen.de/purl?gs-1/10467
dc.description.abstractThe formation of C-H···N bonded complexes of halothane with ammonia has been studied using infrared and Raman spectroscopy of solutions in the liquid rare gases argon, krypton and xenon, of supersonic jet expansions and of room temperature vapor phase mixtures. For the solutions and for the vapor phase experiments, the formation of complexes with 1:1 and 1:2 stoichiometry was observed. The complexation enthalpy for the 1:1 complex was determined to be -20 (1) kJ mol(-1) in the vapor phase, -17.0 (5) kJ mol(-1) in liquid xenon and -17.3 (6) kJ mol(-1) in liquid krypton. For the 1:2 complex in liquid xenon, the complexation enthalpy was determined to be -31.5 (12) kJ mol(-1). Using the complexation enthalpies for the vapor phase and for the solutions in liquid xenon and krypton, a critical assessment is made of the Monte Carlo Free Energy Perturbation approach to model solvent influences on the thermodynamical properties of the cryosolutions. The influences of temperature and solvent on the complexation shifts of the halothane C-H stretching mode are discussed.
dc.languageeng
dc.language.isoeng
dc.rightsopenAccess
dc.subjectSolute–solvent interactions; cryosolutions; halothane–ammonia; complexes
dc.titleSolute-solvent interactions in cryosolutions: a study of halothane-ammonia complexes.
dc.typejournalArticle
dc.identifier.doi10.1039/c2cp40379j
dc.type.versionpublishedVersion
dc.identifier.fs590200
dc.bibliographicCitation.volume14
dc.bibliographicCitation.issue18
dc.bibliographicCitation.firstPage6469
dc.bibliographicCitation.lastPage6478
dc.type.subtypejournalArticle
dc.identifier.pmid22460044
dc.notesThis publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.
dc.description.statuspeerReviewed
dc.bibliographicCitation.journalPhysical chemistry chemical physics : PCCP


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