Rotational and hyperfine structure in the A4Δ – X4Φ, B4Γ – X4Φ and C4Δ – X4Φ transitions of ruthenium monofluoride (RuF)

IF 1.4 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
H. Zarringhalam , D.W. Tokaryk , A.G. Adam , C. Linton
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引用次数: 0

Abstract

Laser Induced Fluorescence (LIF) has been used to study the spectroscopy of ruthenium monofluoride (RuF) in the UNB laser-ablation molecular-jet apparatus. High-resolution spectra of three band systems have been obtained, with a linewidth (FWHM) of ∼0.004 cm−1, in the near infrared (NIR), green and blue regions at ∼ 760 nm, 548 nm and 450 nm respectively. Electronic states have been assigned based on observation of first lines in the R and P branches and the excited states are labelled A, B and C in increasing energy order. Three transitions have been assigned to the green system as spin–orbit components, B4Γ5.5 – X4Φ4.5 and B4Γ4.5 – X4Φ3.5 of the (0,0) band, and B4Γ5.5 – X4Φ4.5 of the (1,1) band of the B – X system. The single NIR and blue bands were assigned as A4Δ3.5 - X4Φ4.5 (0,0) and C4Δ3.5 - X4Φ4.5 (0,0) respectively. Rotational structure of four individual isotopologues 96RuF, 100RuF, 102RuF and 104RuF was well resolved and used to examine the rotational and vibrational isotope effects. The rotational lines were doubled by hyperfine structure due to the nuclear spin I = ½ of fluorine. The hyperfine structure due to the nuclear spin I = 5/2 of 99Ru and 101Ru was not resolved resulting in weak broadened 99RuF and 101RuF lines that were overlapped by the stronger lines of the other isotopologues and could only be assigned in the C4Δ3.5 - X4Φ4.5 (0,0) band. The fluorine hyperfine structure was used to estimate the fraction of F 2sσ and 2pπ in the Ru-centered σ and π molecular orbitals.

Abstract Image

单氟化钌(RuF)的 A4Δ - X4Φ、B4Γ - X4Φ 和 C4Δ - X4Φ 转变中的旋转和超频结构
在 UNB 激光烧蚀分子喷射装置中,利用激光诱导荧光(LIF)研究了单氟化钌(RuF)的光谱。在近红外(NIR)、绿光和蓝光区域,分别在 ∼ 760 nm、548 nm 和 450 nm 处获得了线宽(FWHM)为 ∼0.004 cm-1 的三个波段系统的高分辨率光谱。根据对 R 支和 P 支中第一条线的观察,对电子状态进行了分配,激发态按能量递增顺序标为 A、B 和 C。绿色系统的三个跃迁被指定为自旋轨道成分,即(0,0)波段的 B4Γ5.5 - X4Φ4.5 和 B4Γ4.5 - X4Φ3.5,以及 B - X 系统(1,1)波段的 B4Γ5.5 - X4Φ4.5。单一的近红外波段和蓝光波段分别被命名为 A4Δ3.5 - X4Φ4.5 (0,0) 和 C4Δ3.5 - X4Φ4.5 (0,0)。对四种同素异形体 96RuF、100RuF、102RuF 和 104RuF 的旋转结构进行了很好的解析,并用于研究旋转和振动同位素效应。由于氟的核自旋 I = ½ ,超正弦结构使旋转线加倍。由于 99Ru 和 101Ru 的核自旋 I = 5/2 所产生的超正弦结构未被解析,导致 99RuF 和 101RuF 的线变弱变宽,与其他同位素的较强线重叠,只能归属于 C4Δ3.5 - X4Φ4.5 (0,0) 波段。氟超频结构用于估算 F 2sσ 和 2pπ 在以 Ru 为中心的 σ 和 π 分子轨道中的比例。
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来源期刊
CiteScore
2.70
自引率
21.40%
发文量
94
审稿时长
29 days
期刊介绍: The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.
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