BF3 valence and Rydberg states as probed by electron energy loss spectroscopy and ab Initio calculations

D. Duflot, M. Hoshino, P. Limão-Vieira, A. Suga, H. Kato, H. Tanaka

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5 Citations (Scopus)

Abstract

In this contribution we probe BF3 low-lying excited singlet states measured at 100 eV, 2.8° scattering angle and triplet states at 40 eV, 40° scattering angle, while sweeping the energy loss over the range 10.0-20.0 eV. The electronic state spectroscopy has been investigated and the assignments supported by quantum chemical calculations. This provides the first comprehensive investigation of all singlet and triplet excited electronic states of boron trifluoride up to the first ionization potential. A generalized oscillator strength analysis is employed to derive oscillator strength f0 value and integral cross sections (ICSs) from the corresponding di fferential cross sections (DCSs). The f0 value is compared with the optical oscillator strength (OOS) from photoabsorption, and the unscaled Born ICSs are then compared with relevant energy and binary-encounter and f-scaled Born cross section (BEf-scaling) results determined as a part of this investigation. The lowest n members of the Rydberg series have been assigned as converging to the lowest ionization energy limits of boron trifluoride and classified according to the magnitude of the quantum defects (δ). (Graph Presented).

Original languageEnglish
Pages (from-to)10955-10966
Number of pages12
JournalJournal of Physical Chemistry A
Volume118
Issue number46
DOIs
Publication statusPublished - 20 Nov 2014

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