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 Title: STARK AND ZEEMAN EFFECT IN THE [18.5]2∆ 3/2 - X2∆3/2 TRANSITION OF THORIUM MONOFLUORIDE Author(s): Nguyen, Duc-Trung Contributor(s): Steimle, Timothy Subject(s): Electronic structure, potential energy surfaces Abstract: Studies of the bonding and electronic structure of simple actinide compounds\footnote{M. C. Heaven, B. J. Barker and I. O. Antonov, J. Phys. Chem. A, 2014, 118, 10867-10881.}\footnote{T. Steimle, D. L. Kokkin, S. Muscarella and T. Ma, J. Phys. Chem. A, 2015, 119, 9281-9285.}\footnote{C. Linton, A. G. Adam and T. C. Steimle, J. Chem. Phys., 2014, 140, 214305/214301-214305/214307.}\footnote{D. L. Kokkin, T. C. Steimle and D. DeMille, Phys. Rev. A: At., Mol., Opt. Phys., 2014, 90, 062503/062501-062503/062510.} are attractive because they provide insight into the chemistry of more complex molecules associated with radioactive waste. These molecules are the most effective venues for developing a synergism between theory and experiment. The primary goal of the present study is to understand and identify different levels of covalency in a series of gas phase actinides and lanthanides containing molecules via the determination of the permanent electric dipole moment, $\mu$, and magnetic g-factors. The electronic spectrum of ThF has been investigated using: a) medium resolution two dimensional (2D)\footnote{N. J. Reilly, T. W. Schmidt and S. H. Kable, J. Phys. Chem. A, 2006, 110, 12355-12359.}; ultrahigh field free, Stark, and Zeeman spectroscopy of a supersonically cooled molecular beam sample. A strong band system near 540 nm was detected and the Stark shifts and splitting were analyzed to produce $\mu$ values of 1.426(18)D and 0.586(30)D, for the X$^{2}$$\Delta$$_{3/2}$ and [18.5] $\Omega$=3/2 states, respectively. Zeeman splittings were analyzed to show that both the ground and excited [18.5] $\Omega$=3/2 states are predominately $^{2}$$\Delta$$_{3/2}$ spin-orbit components. A molecular orbital correlation diagram will be used to rationalize the observed very small $\mu$ values, the electronic state distribution, and garner insight into the bonding mechanism. Issue Date: 06/21/18 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/100829 DOI: 10.15278/isms.2018.RJ03 Other Identifier(s): RJ03 Date Available in IDEALS: 2018-08-172018-12-12
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