Journal article
Spectroscopic investigations of ThF and ThF
The Journal of chemical physics, Vol.136(10), pp.104305-104305-9
03/12/2012
Handle:
https://hdl.handle.net/2376/107012
PMID: 22423836
Abstract
The electronic spectra of ThF and ThF
+
have been examined using laser induced fluorescence and resonant two-photon ionization techniques. The results from high-level
ab initio
calculations have been used to guide the assignment of these data. Spectra for ThF show that the molecule has an X
2
Δ
3/2
ground state. The upper spin-orbit component, X
2
Δ
5/2
was found at an energy of 2575(15) cm
−1
. The low-lying states of ThF
+
were probed using dispersed fluorescence and pulsed field ionization - zero kinetic energy (PFI-ZEKE) photoelectron spectroscopy. Vibronic progressions belonging to four electronic states were identified. The lowest energy states were clearly
1
Σ
+
and
3
Δ
1
. Although the energy ordering could not be rigorously determined, the evidence favors assignment of
1
Σ
+
as the ground state. The
3
Δ
1
state, of interest for investigation of the electron electric dipole moment, is just 315.0(5) cm
−1
above the ground state. The PFI-ZEKE measurements for ThF yielded an ionization energy of 51581(3) cm
−1
. Molecular constants show that the vibrational constant increases and the bond length shortens on ionization. This is consistent with removal of a non-bonding Th-centered 6
d
or 7
s
electron. Laser excitation of ThF
+
was used to probe electronically excited states in the range of 19000-21500 cm
−1
.
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Details
- Title
- Spectroscopic investigations of ThF and ThF
- Creators
- Beau Barker - Department of Chemistry, Emory University, Atlanta, Georgia 30322, USAIvan Antonov - Department of Chemistry, Emory University, Atlanta, Georgia 30322, USAMichael Heaven - Department of Chemistry, Emory University, Atlanta, Georgia 30322, USAKirk Peterson - Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA
- Publication Details
- The Journal of chemical physics, Vol.136(10), pp.104305-104305-9
- Academic Unit
- Chemistry, Department of
- Publisher
- American Institute of Physics
- Grant note
- DE-FG02-01ER15153 / DOE CHE-0958205 / NSF
- Identifiers
- 99900546780801842
- Resource Type
- Journal article