The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction (Articolo in rivista) (literal)

Anno

• 2013-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1063/1.4773059 (literal)

Alternative label

• F. Bisti/1, A. Stroppa/2, F. Perrozzi/1, M. Donarelli/1, S. Picozzi/2, M. Coreno/3, M. de Simone/4 K. C. Prince/4,5, L. Ottaviano/1,2 (2013)
  The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction
  in The Journal of chemical physics; AIP, American institute of physics, Melville, NY (Stati Uniti d'America)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• F. Bisti/1, A. Stroppa/2, F. Perrozzi/1, M. Donarelli/1, S. Picozzi/2, M. Coreno/3, M. de Simone/4 K. C. Prince/4,5, L. Ottaviano/1,2 (literal)

Pagina inizio

• 014308-1 (literal)

Pagina fine

• 014308-4 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://dx.doi.org/10.1063/1.4773059 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 138 (literal)

Rivista

• ?The ?Journal of chemical physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 4 (literal)

Note

• Scopus (literal)
• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• 1-Dipartimento di Scienze Fisiche e Chimiche, Università dell'Aquila, Via Vetoio, 67100 L'Aquila, Italy 2-CNR-SPIN L'Aquila, Via Vetoio 10, 67100 L'Aquila, Italy 3-CNR-IMIP Montelibretti c/o Laboratorio Elettra, Basovizza, 34149 Trieste, Italy 4-CNR-IOM Laboratorio TASC, ss. 14, Km. 163,5 Basovizza, 34149 Trieste, Italy 5-Sincrotrone Trieste in Area Science Park, I-34149 Basovizza, Trieste, Italy (literal)

Titolo

• The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction (literal)

Abstract

• The electronic structure of croconic acid in the gas phase has been investigated by means of core level and valence band photoemission spectroscopy and compared with hybrid Heyd-Scuseria-Ernzerhof density functional theory calculations. The results have been compared with the corresponding ones of the condensed phase. In the gas phase, due to the absence of hydrogen bond intermolecular interactions, the O 1 s core level spectrum shows a shift of binding energy between the hydroxyl (O-H) and the carbonyl group (C=O) of 2.1 eV, which is larger than the condensed phase value of 1.6 eV. Interestingly, such a shift decreases exponentially with the increase of the O-H distance calculated from theory. The significant differences between the gas and condensed phase valence band spectra highlight the important role played by the hydrogen bonding in shaping the electronic structure of the condensed phase. (literal)

Editore

• AIP, American institute of physics (Editore)

Prodotto di

• MD.P06.016.002 Sistemi a bassa densita' e nanostrutture in fase gassosa (MD.P06.016.004) (Modulo)
• Istituto di Nanotecnologia (NANOTEC) (Istituto)

Autore CNR

• ALESSANDRO STROPPA (Persona)
• MARCELLO CORENO (Unità di personale interno)
• SILVIA PICOZZI (Persona)
• MONICA DE SIMONE (Persona)

Incoming links:

Prodotto

• Istituto di Nanotecnologia (NANOTEC) (Istituto)
• MD.P06.016.002 Sistemi a bassa densita' e nanostrutture in fase gassosa (MD.P06.016.004) (Modulo)

Autore CNR di

• MARCELLO CORENO (Unità di personale interno)
• SILVIA PICOZZI (Persona)
• MONICA DE SIMONE (Persona)
• ALESSANDRO STROPPA (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• ?The ?Journal of chemical physics (Rivista)

Editore di

• AIP, American institute of physics (Editore)