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MgNC自由基的高分辨率、转动分辨电子光谱

High-Resolution, Rotationally Resolved Electronic Spectroscopy of the MgNC Radical.

作者信息

Wright RR, Miller TA

机构信息

Department of Chemistry, The Ohio State University, 120 West 18th Avenue, Columbus, Ohio, 43210

出版信息

J Mol Spectrosc. 1999 Apr;194(2):219-228. doi: 10.1006/jmsp.1998.7788.

DOI:10.1006/jmsp.1998.7788
PMID:10079160
Abstract

High-resolution, rotationally resolved, laser-induced fluorescence (LIF) spectra for the origin band, as well as several transitions involving vibrationally excited levels of the Ã2Pi <-- &Xtilde2Sigma+ electronic transition of the MgNC radical, have been recorded using the output of a pulse-amplified Ti:Sapphire ring laser. The MgNC radical was generated in a supersonic free jet expansion by simultaneous laser ablation of a magnesium rod and photolysis of acetonitrile (CH3CN). Rotational analysis yielded molecular constants for both the ground and excited states of the studied vibronic transitions. The molecular constants for the vibrationless state of the &Xtilde state are in excellent agreement with previous microwave studies of MgNC. Since the à electronic state of MgNC is a linear 2Pi state, the bending vibronic level structure is subject to both Renner-Teller and spin-orbit coupling. Suggested vibronic assignments of the observed transitions, made considering both these interactions and with the aid of the rotational analysis, are discussed. Copyright 1999 Academic Press.

摘要

利用脉冲放大钛宝石环形激光器的输出,记录了MgNC自由基的Ã2Pi←&Xtilde2Sigma+电子跃迁的起始带以及涉及振动激发能级的几个跃迁的高分辨率、旋转分辨激光诱导荧光(LIF)光谱。通过同时激光烧蚀镁棒和光解乙腈(CH3CN)在超声速自由射流膨胀中产生MgNC自由基。旋转分析得出了所研究振转跃迁的基态和激发态的分子常数。&Xtilde态无振动状态的分子常数与先前对MgNC的微波研究结果非常吻合。由于MgNC的Ã电子态是线性2Pi态,弯曲振转能级结构同时受到伦纳 - 泰勒和自旋 - 轨道耦合的影响。讨论了在考虑这两种相互作用并借助旋转分析的情况下对观察到的跃迁所建议的振转归属。版权所有1999年学术出版社。

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