Observatorio de I+D+i UPM

Memorias de investigación
Research Publications in journals:
S 2p photoabsorption of the SF5CF3 molecule: Experiment, theory and comparison with SF6
Year:2010
Research Areas
  • Mechanical aeronautics and naval engineering
Information
Abstract
The S 2p core excitation spectrum of the SF5CF3 molecule has been measured in the total ion yield mode. It resembles a lot the analogous spectrum of SF6, also recorded in this study, displaying intense transitions to the empty molecular orbitals both below and above the S 2p ionization potential (IP) and weak transitions to the Rydberg orbitals. The S 2p photoabsorption spectra of SF6 and SF5CF3 have been calculated using time-dependent density functional theory, whereby the spin¿orbit coupling was included for the transitions below the S 2p IP. The agreement between experiment and theory is good for both molecules, which allows us to assign the main S 2p absorption features in SF5CF3.
International
Si
JCR
No
Title
Chemical Physics
ISBN
0301-0104
Impact factor JCR
0
Impact info
Volume
375
Journal number
From page
101
To page
109
Month
ENERO
Ranking
Participants
  • Autor: Jesus Alvarez Ruiz (UPM)
  • Autor: A. KIVIMAKI (CNR-IOM, Laboratorio TASC,)
  • Autor: M. CORENO (CNR-IMIP)
  • Autor: M. STANKIEWICZ (Instytut Fizyki im. Mariana Smoluchowskiego)
  • Autor: G. FRONZONI (Dipartimento di Scienze Chimiche)
  • Autor: M. STENER (Dipartimento di Scienze Chimiche)
  • Autor: P. DECLEVA (Dipartimento di Scienze Chimiche)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Fusión Nuclear Inercial y Tecnología de fusión
  • Centro o Instituto I+D+i: Instituto de Fusión Nuclear
S2i 2020 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)