Conformational landscape of supersonically expanded 1-(Fluorophenyl)ethanols and their monohydrated clusters (Articolo in rivista)

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  • Conformational landscape of supersonically expanded 1-(Fluorophenyl)ethanols and their monohydrated clusters (Articolo in rivista) (literal)
Anno
  • 2009-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/cphc.200900011 (literal)
Alternative label
  • M. Speranza, F. Rondino, A. Giardini, A. Paladini, A.R. Hortal, S. Piccirillo, M. Satta (2009)
    Conformational landscape of supersonically expanded 1-(Fluorophenyl)ethanols and their monohydrated clusters
    in ChemPhysChem (Print); WILEY-V C H VERLAG GMBH,, D-69451 WEINHEIM, (Germania)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • M. Speranza, F. Rondino, A. Giardini, A. Paladini, A.R. Hortal, S. Piccirillo, M. Satta (literal)
Pagina inizio
  • 1859 (literal)
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  • 10 (literal)
Rivista
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • [a] Prof. M. Speranza, Dr. F. Rondino Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza Università di Roma, P. le Aldo Moro 5, 00185 Roma (Italy) Fax: (+ 39) 06-49913602 E-mail: maurizio.speranza@uniroma1.it [b] Dr. M. Satta CNR-ISC, Rome (Italy) Fax: (+ 39) 06-490234 E-mail: mausat@caspur.it [c] Prof. A. Giardini, Dr. A. Paladini CNR-IMIP (Italy) [d] Dr. A. R. Hortal Department of Phys. Chem. and Nat. Systems Universidad Pablo de Olavide 41013 Seville (Spain) [e] Dr. S. Piccirillo Dipartimento di Scienze e Tecnologie Chimiche Università di Roma 2 \"Tor Vergata\", Rome (Italy) (literal)
Titolo
  • Conformational landscape of supersonically expanded 1-(Fluorophenyl)ethanols and their monohydrated clusters (literal)
Abstract
  • The effects of the presence of the ring fluorine atom on the conformational landscape of supersonically expanded isomeric 1-(fluorophenyl)ethanols and their monohydrated clusters are investigated by resonant two-photon ionization (R2PI) spec- ACHTUNGTRENUNGtroscopy, coupled with time-of-flight (TOF) mass spectrometry. In contrast to the very simple spectrum of 1-phenylethanol, the lack of structural symmetry of the aromatic rings of isomeric 1-(fluorophenyl)ethanols generates more complicated spectra, characterized by several low-frequency progressions of bands. Their interpretation is based on the strict correspondence with theoretical predictions at the D-B3LYP/6-31G** level of theory. Monohydration of the 1-(fluorophenyl)ethanol isomers favours exclusive formation of the corresponding conformers, characterized by the O?H···Ow?H···p intracomplex interaction and whose excitation spectrum exhibits features attributed to the C1?Ca torsion plus intermolecular water torsion. (literal)
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