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Article: Electronic transitions of tantalum monofluoride
Title | Electronic transitions of tantalum monofluoride |
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Authors | |
Issue Date | 2017 |
Publisher | AIP Publishing LLC. The Journal's web site is located at https://aip.scitation.org/journal/jcp |
Citation | Journal of Chemical Physics, 2017, v. 146 n. 9, article no. 094308 How to Cite? |
Abstract | The electronic transition spectrum of the tantalum monofluoride (TaF) molecule in the spectral region between 448 and 560 nm has been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. The TaF molecule was produced by reacting laser-ablated tantalum atoms with sulfur hexafluoride gas seeded in argon. Twenty-two vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into seven electronic transitions. The X3Σ−(0+) state has been identified to be the ground state and the determined equilibrium bond length, re, and vibrational frequency, ωe, are 1.8184 Å and 700.1 cm−1, respectively. The low-lying Λ-S states and Ω sub-states of TaF were also theoretically studied at the MRCISD+Q level of theory with spin-orbit coupling. The Ω = 0+ and 2 sub-states from the Σ−3 and Φ3 state have been found to be the ground and the first excited states, respectively, which agrees well with our experimental determinations. This work represents the first experimental investigation of the molecular structure of the TaF molecule. |
Persistent Identifier | http://hdl.handle.net/10722/247274 |
ISSN | 2023 Impact Factor: 3.1 2023 SCImago Journal Rankings: 1.101 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Ng, KF | - |
dc.contributor.author | Zou, W | - |
dc.contributor.author | Liu, W | - |
dc.contributor.author | Cheung, ASC | - |
dc.date.accessioned | 2017-10-18T08:24:53Z | - |
dc.date.available | 2017-10-18T08:24:53Z | - |
dc.date.issued | 2017 | - |
dc.identifier.citation | Journal of Chemical Physics, 2017, v. 146 n. 9, article no. 094308 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | http://hdl.handle.net/10722/247274 | - |
dc.description.abstract | The electronic transition spectrum of the tantalum monofluoride (TaF) molecule in the spectral region between 448 and 560 nm has been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. The TaF molecule was produced by reacting laser-ablated tantalum atoms with sulfur hexafluoride gas seeded in argon. Twenty-two vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into seven electronic transitions. The X3Σ−(0+) state has been identified to be the ground state and the determined equilibrium bond length, re, and vibrational frequency, ωe, are 1.8184 Å and 700.1 cm−1, respectively. The low-lying Λ-S states and Ω sub-states of TaF were also theoretically studied at the MRCISD+Q level of theory with spin-orbit coupling. The Ω = 0+ and 2 sub-states from the Σ−3 and Φ3 state have been found to be the ground and the first excited states, respectively, which agrees well with our experimental determinations. This work represents the first experimental investigation of the molecular structure of the TaF molecule. | - |
dc.language | eng | - |
dc.publisher | AIP Publishing LLC. The Journal's web site is located at https://aip.scitation.org/journal/jcp | - |
dc.relation.ispartof | Journal of Chemical Physics | - |
dc.rights | This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Journal of Chemical Physics, 2017, v. 146 n. 9, article no. 094308 and may be found at https://doi.org/10.1063/1.4977215 | - |
dc.title | Electronic transitions of tantalum monofluoride | - |
dc.type | Article | - |
dc.identifier.email | Cheung, ASC: hrsccsc@hkucc.hku.hk | - |
dc.identifier.authority | Cheung, ASC=rp00676 | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.1063/1.4977215 | - |
dc.identifier.scopus | eid_2-s2.0-85014425284 | - |
dc.identifier.hkuros | 281321 | - |
dc.identifier.volume | 146 | - |
dc.identifier.issue | 9 | - |
dc.identifier.spage | article no. 094308 | - |
dc.identifier.epage | article no. 094308 | - |
dc.identifier.isi | WOS:000397312800050 | - |
dc.publisher.place | United States | - |
dc.identifier.issnl | 0021-9606 | - |