Wavelength and mass selected resonant two-photon ionization spectra of mol. clusters between R-1-phenyl-2,2,2-trifluoroethanol (FER) and methylamine (M) or the enantiomers of 2-aminobutane (AR and AS) were recorded after supersonic mol. beam expansion and analyzed with the aid of ab initio MO calcns. The exptl. results agree with theor. calcns. pointing to the predominance of the two most stable conformers of monosolvated FER whose CF3 group establishes intense NHF interactions with the selected amines so as to orient them away from the arom. ring. This reduces the enantioselectivity of FER toward the 2-aminobutane enantiomers as compared to that exhibited by the R-1-phenylethanol (ER) analog, where obviously NHF interactions are absent.

Monosolvation of R-1-phenyl-2,2,2-trifluoroethanol with amines: configurational effects on the excitation, ionization, and fragmentation of diastereomeric complexes / Giardini, Anna; G., Cattenacci; Paladini, Alessandra; S., Piccirillo; Satta, Mauro; Rondino, Flaminia; Speranza, Maurizio. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 111:(2007), pp. 12559-12563. [10.1021/jp075945i]

Monosolvation of R-1-phenyl-2,2,2-trifluoroethanol with amines: configurational effects on the excitation, ionization, and fragmentation of diastereomeric complexes.

GIARDINI, Anna;PALADINI, Alessandra;SATTA, Mauro;RONDINO, Flaminia;SPERANZA, Maurizio
2007

Abstract

Wavelength and mass selected resonant two-photon ionization spectra of mol. clusters between R-1-phenyl-2,2,2-trifluoroethanol (FER) and methylamine (M) or the enantiomers of 2-aminobutane (AR and AS) were recorded after supersonic mol. beam expansion and analyzed with the aid of ab initio MO calcns. The exptl. results agree with theor. calcns. pointing to the predominance of the two most stable conformers of monosolvated FER whose CF3 group establishes intense NHF interactions with the selected amines so as to orient them away from the arom. ring. This reduces the enantioselectivity of FER toward the 2-aminobutane enantiomers as compared to that exhibited by the R-1-phenylethanol (ER) analog, where obviously NHF interactions are absent.
2007
01 Pubblicazione su rivista::01a Articolo in rivista
Monosolvation of R-1-phenyl-2,2,2-trifluoroethanol with amines: configurational effects on the excitation, ionization, and fragmentation of diastereomeric complexes / Giardini, Anna; G., Cattenacci; Paladini, Alessandra; S., Piccirillo; Satta, Mauro; Rondino, Flaminia; Speranza, Maurizio. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 111:(2007), pp. 12559-12563. [10.1021/jp075945i]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/364920
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