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Title:Observation And Spectral Analysis Of The a Ω=1 – x Ω=0+ Electronic Transition Of Diatomic Platinum Sulfide, Pts, By Intracavity Laser Absorption Spectroscopy With Fourier Transform Detection (ils-fts)
Author(s):O'Brien, Leah C
Contributor(s):Zou, Wenli; O'Brien, James J; Harms, Jack C
Subject(s):Small molecules
Abstract:Using ILS-FTS, we have recorded the $\it{A}$ $\Omega$=1 – $\it{X}$ $\Omega$=0$^{+}$ transition of diatomic PtS. Strong bands were observed at 15,520 and 15,910 \wn, which have been identified as the (0,0) and (1,0) vibrational bands. The P- and R-branches show a regular pattern for the $^{194}$PtS, $^{195}$PtS, $^{196}$PtS and $^{198}$PtS isotopologues, but quite interestingly the Q-branch shows significant hyperfine splitting for $^{195}$PtS. Although P- and R-branches were easily assigned based on the known ground state constants, the Q-branch seems to be perturbed, requiring q, q$_{D}$, and q$_{H}$ parameters to achieve only a sub-par fit. This indicates the presence of a nearby $\Omega$=0$^{-}$ state that is perturbing the $\it{f}$–levels in the $\it{A}$ $\Omega$=1 state. A successful deperturbation analysis and fit were performed in PGOPHER, and molecular constants for the $\it{A}$ $\Omega$=1 and perturbing $\Omega$=0$^{-}$ states were obtained. High-level $\it{ab\, initio}$ calculations support this assignment and predict an $\Omega$=0$^{-}$ state in close proximity to the $\it{A}$ state. Results and discussion of this analysis will be presented.
Issue Date:2021-06-25
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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