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Analysis of the A Ω=1-X 3Σ0+- transition of PtS observed by intracavity laser spectroscopy with fourier transform detection (ILS-FTS), and computational studies of electronic states of PtS
被引:9
|作者:
O'Brien, Leah C.
[1
]
Harms, Jack C.
[2
,3
]
O'Brien, James J.
[2
,3
]
Zou, Wenli
[4
,5
]
机构:
[1] Southern Illinois Univ Edwardsville, Dept Chem, Edwardsville, IL 62026 USA
[2] Univ Missouri, Dept Chem & Biochem, St Louis, MO 63121 USA
[3] Univ Missouri, Ctr Nanosci, St Louis, MO 63121 USA
[4] Northwest Univ, Inst Modern Phys, Xian, Shaanxi, Peoples R China
[5] Shaanxi Key Lab Theoret Phys Frontiers, Xian, Shaanxi, Peoples R China
基金:
美国国家科学基金会;
关键词:
Ro-electronic analysis;
High-resolution electronic spectra of metal-containing radicals;
Perturbation analysis;
Platinum sulfide;
PtS;
ILS-FTS;
PURE ROTATIONAL SPECTRUM;
ABSORPTION-SPECTROSCOPY;
AB-INITIO;
PLATINUM MONOSULFIDE;
EMISSION-SPECTRUM;
DIPOLE MOMENT;
IDENTIFICATION;
MONOCARBIDE;
MOLECULES;
MONOXIDE;
D O I:
10.1016/j.molstruc.2020.128024
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
The (0,0) and (1,0) vibrational bands of the A Omega = 1 - X-3 Sigma(-)(0+) transition of PtS have been observed in high resolution absorption measurements recorded using intracavity laser spectroscopy with Fourier transform detection (ILS-FTS). Hyperfine structure in 195 PtS lines was observed in the Q-branches only, due to the interaction of an unknown Omega = 0(-) state with the f levels of the A Omega = 1 state. The new (0,0) vibrational band has been rotationally analyzed and fit using PGOPHER. Results from the spectral analysis including deperturbation of the (0,0) band of the A Omega = 1 state are presented. Potential energy curves, spectroscopic constants, and transition dipole moments are presented for A-S and Omega electronic states with T-e < 25,000 cm(-1), based on high-level ab initio calculations. Experimentally observed electronic states of PtS are correlated to predicted states. (C) 2020 Elsevier B.V. All rights reserved.
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页数:11
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