Nuclear motion and symmetry breaking of the B 1s-excited BF3 molecule

Abstract

Out-of-plane nuclear motion stimulated in the core-excited state and symmetry breaking due to this nuclear motion have been investigated for B 1s excitation in the BF 3 molecule by a combination of three different experimental methods: angle-resolved ion-yield spectroscopy, vibrationally resolved resonant Auger electron spectroscopy and quadruple-ion coincidence momentum-imaging technique.

Photofragmentation of BF3on B and FK-shell excitation by partial ion yield spectroscopy

“…The energy spacing of the two prominent vibrational components is ∼100 meV and corresponds to the frequency of the breathing mode ν 2 . The two prominent components are assigned to (ν 1 , 1) with ν 1 = 0, 1 [3]. The following peak at 200.35 eV is assigned to the B1s → 3p transition, again with resolved vibrational structure.…”

“…The electronic structure and core excitation and decay dynamics of the highly symmetric planar molecule BF 3 have been studied extensively with several spectroscopies. These studies include B 1s absorption [1,2,3], F 1s absorption [1,4], and electronic decay after resonant B 1s → 2a 2 excitation to the lowest unoccupied molecular orbital [1,5,6,7,8]. Ionic fragmentation following B 1s → 2a 2 excitation has been investigated by means of various coincidence techniques, such as resonant-Auger-electron-photoion coincidence [9,10] and photoelectron-photoion-photoion coincidence [11].…”

Identification of absolute geometries of cis and trans molecular isomers by Coulomb Explosion Imaging

“…using synchrotron radiation10 and by femtosecond time-resolved experiments with intense, ultrashort optical1112 and XUV or X-ray pulses131415. All of these experiments have employed the Coulomb explosion coincidence momentum imaging technique16171819, in which all charged fragments that are created when the multiply charged parent ion breaks up (“ explodes ”) are measured in coincidence and their momentum vectors are used to extract information about the dynamical change in the geometry of the parent molecule. Recently, this technique was also used to separate two enantiomers in a racemic mixture of the chiral molecules CHIClF and CHBrClF by measuring five-fold coincidences after strong-field laser ionization2021, and the related beam-foil Coulomb explosion method was used to study the absolute configuration of trans-2,3-dideuterooxirane (C 2 H 2 D 2 O)22.…”

High-Resolution Momentum Imaging—From Stern’s Molecular Beam Method to the COLTRIMS Reaction Microscope

“…Parallel in time to the measurements by Alan Landers and Thorsten Weber et al, also the group of Anne Lafosse et al located in Paris in cooperation with the Frankfurt group performed such measurements using C-REMI approach [117]. More photo-ionization measurements of molecules have been performed in the last two decades using the C-REMI approach (see, e.g., [118][119][120][121][122]). Jahnke et al [118] performed corresponding measurements using circularly polarized photons providing first full 3-dimensional molecular frame photoelectron angular distributions, as shown in Fig.…”