http://www.cnr.it/ontology/cnr/individuo/prodotto/ID172374
Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water (Articolo in rivista)
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- Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water (Articolo in rivista) (literal)
- Anno
- 2007-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1016/j.cplett.2006.12.095 (literal)
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Giardini A.; Rondino F.; Cattenacci G.; Paladini A.; Piccirillo S.; Satta M.; Speranza M. (2007)
Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water
in Chemical physics letters (Print); Elsevier Science Publishers, Amsterdam (Paesi Bassi)
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Giardini A.; Rondino F.; Cattenacci G.; Paladini A.; Piccirillo S.; Satta M.; Speranza M. (literal)
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- a Dipt. to di Chimica, Universita` di Roma ''La Sapienza'', Rome, Italy
b CNR-IMIP, Sezione di Potenza, Italy
c Dipt. di Scienze e Tecnologie Chimiche, Universita` di Roma 2 ''Tor Vergata'', Rome, Italy
d CNR-ISC, Rome, Italy
e Dipt. di Studi di Chimica e Tecnologia delle sostanze biologicamente Attive, Universita` di Roma ''La Sapienza'', Rome, Italy (literal)
- Titolo
- Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water (literal)
- Abstract
- One colour mass selected resonant two photon ionization R2PI spectra of supersonically expanded (R)-1-phenyl-2,2,2-trifluoroethanol (FER) and its complex with water are reported. The excitation spectra are analyzed and discussed on the basis of theoretical predictions at the B3LYP/6-31G** level of theory. In the most stable conformer of FER, the OH group establishes an intramolecular hydrogen bond with one of the fluorine atoms of CF3. In the FER/water complex the formation of a structure in which the water molecule acts as proton acceptor from the OH group and proton donor to the fluorine atom of the CF3 group is found. (literal)
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