Angle-resolved photoelectron spectroscopy of randomly oriented 3-hydroxytetrahydrofuran enantiomers (Articolo in rivista)

Type
Label
  • Angle-resolved photoelectron spectroscopy of randomly oriented 3-hydroxytetrahydrofuran enantiomers (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/cphc.200400483 (literal)
Alternative label
  • Giardini A. f; Catone D. f; Stranges S. f; Satta M. b; Tacconi M. f; Piccirillo S. c; Turchini S. d; Zema N. d, Contini G. d; Prosperi T. d; Decleva P. e; Di Tommaso D. e; Fronzoni G e; Stener M. e; Filippi A. a; Speranza M. a (2005)
    Angle-resolved photoelectron spectroscopy of randomly oriented 3-hydroxytetrahydrofuran enantiomers
    in ChemPhysChem (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Giardini A. f; Catone D. f; Stranges S. f; Satta M. b; Tacconi M. f; Piccirillo S. c; Turchini S. d; Zema N. d, Contini G. d; Prosperi T. d; Decleva P. e; Di Tommaso D. e; Fronzoni G e; Stener M. e; Filippi A. a; Speranza M. a (literal)
Pagina inizio
  • 1164 (literal)
Pagina fine
  • 1168 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 6 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
  • Wiley-VCH. (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 6 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • a Universit?à di Roma \"La Sapienza\", Dipartimento di Studi di Chimica e Tecnologia delle Sostanze Biologicamente Attive, Roma, Italy; b CNR-IMIP (sezione Istituto Materiali Speciali), Tito Scalo (Pz), Italy; c Università? di Roma \"Tor Vergata\", Dipartimento di Scienze e Tecnologie Chimiche, Rome, Italy; d CNR, Istituto di Struttura della Materia, Roma, Italy; e Universit?à di Trieste, Dipartimento di Scienze Chimiche, Trieste, Italy and INFM DEMOCRITOS National Simulation Center, Trieste, Italy; f Università? di Roma \"La Sapienza\", Dipartimento di Chimica, Roma, Italy (literal)
Titolo
  • Angle-resolved photoelectron spectroscopy of randomly oriented 3-hydroxytetrahydrofuran enantiomers (literal)
Abstract
  • Circular dichroism in the angular distribution of valence photoelectrons emitted from randomly oriented 3-hydroxytetrahydrofuran enantiomers (Th-S and Th-R) has been observed in gas-phase experiments using circularly polarized vacuum ultraviolet (VUV) light. The measured dichroism for both Th-S and Th-R, acquired at the single magic angle theta=234.73 degrees and at photon energies of 22, 19, 16, and 14 eV, points to an asymmetric forward-backward scattering of the photoelectrons from their highest occupied molecular orbitals (HOMO) HOMO-1 and HOMO-2, of up to 5%, depending on the photon energy. The asymmetry reverses on exchange of either the helicity of the radiation or the configuration of Th. The photoionization dichroic D parameters of Th-S and Th-R have been measured and their values discussed in the light of LCAO B-spline density functional theory (DFT) predictions. While an acceptable agreement is found between the dichroic parameter measured and calculated at the highest photon energy for the HOMO and HOMO-2 orbitals of Th, a significant discrepancy is observed for the HOMO-1 state which is attributed to the floppiness of Th, in particular to the comparatively large sensitivity of the size and shape of its HOMO-1 on nuclear vibrational motion. (literal)
Prodotto di
Autore CNR

Incoming links:


Prodotto
Autore CNR di
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
data.CNR.it