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How Water Interacts with Halogenated Anesthetics: The Rotational Spectrum of Isoflurane–Water |
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| Authors: | Qian Gou Dr. Gang Feng Dr. Luca Evangelisti Montserrat Vallejo‐López Lorenzo Spada Prof. Dr. Alberto Lesarri Dr. Emilio J. Cocinero Prof. Dr. Walther Caminati |
| Affiliation: | 1. Department of Chemistry, University of Bologna, Via Selmi 2, 40126, Bologna (Italy), Fax: (+39)?0512099456;2. Departamento de Química Física y Química Inorgánica, Universidad de Valladolid, 47011 Valladolid (Spain);3. Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, (UPV‐EHU), Apartado 644, 48940 Bilbao (Spain) |
| 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 35Cl (or 37Cl) nuclear quadrupole effects. |
| Keywords: | conformation analysis hydrogen bonds rotational spectroscopy rotamers water |