http://www.cnr.it/ontology/cnr/individuo/prodotto/ID34413
Conformational landscape of supersonically expanded 1-(Fluorophenyl)ethanols and their monohydrated clusters (Articolo in rivista)
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- Label
- 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)
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- ISI Web of Science (WOS) (literal)
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- [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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