title: How water interacts with halogenated anesthetics: the rotational spectrum of isoflurane-water.
abstract: The rotational spectra of several isotopologues of the 1:1 complex between the inhaled anesthetic isoflurane and water have been recorded and analyzed by using Fourier transform microwave spectroscopy. The rotational spectrum showed a single rotamer, corresponding to the configuration in which the most stable conformer of isolated isoflurane is linked to the water molecule through an almost linear C-H⋅⋅⋅O weak hydrogen bond. All transitions display a hyperfine structure due to the (35)Cl (or (37)Cl) nuclear quadrupole effects.
authors.affiliation: Department of Chemistry, University of Bologna, Via Selmi 2, 40126, Bologna (Italy), Fax: (+39) 0512099456.
authors.forename: Qian
authors.initials: Q
authors.lastname: Gou
authors.forename: Gang
authors.initials: G
authors.lastname: Feng
authors.forename: Luca
authors.initials: L
authors.lastname: Evangelisti
authors.forename: Montserrat
authors.initials: M
authors.lastname: Vallejo-López
authors.forename: Lorenzo
authors.initials: L
authors.lastname: Spada
authors.forename: Alberto
authors.initials: A
authors.lastname: Lesarri
authors.forename: Emilio J
authors.initials: EJ
authors.lastname: Cocinero
authors.forename: Walther
authors.initials: W
authors.lastname: Caminati
mesh_terms: D018685:Anesthetics, Inhalation / Q000737:chemistry / Q000378:metabolism*; D005583:Fourier Analysis; D054879:Halogenation; D006860:Hydrogen Bonding; D007530:Isoflurane / Q000737:chemistry / Q000378:metabolism*; D008872:Microwaves; D008958:Models, Molecular; D008968:Molecular Conformation; D013057:Spectrum Analysis; D014867:Water / Q000737:chemistry / Q000378:metabolism*
chemical_list: D018685:Anesthetics, Inhalation; D014867:Water; D007530:Isoflurane
keywords: conformation analysis; hydrogen bonds; rotamers; rotational spectroscopy; water