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首页> 外文期刊>The Journal of Chemical Physics >High-resolution laser excitation spectroscopy of the A ~2E-X~2/A_1 transition of SrCH_3
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High-resolution laser excitation spectroscopy of the A ~2E-X~2/A_1 transition of SrCH_3

机译:SrCH_3的A〜2E-X〜2 / A_1跃迁的高分辨率激光激发光谱

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High-resolution laser excitation spectroscopy has been used to record the A ~2E-X ~2A,electronic transition of SrCH_3 in a laser ablation/molecular jet source.Transitions arising from the K'-1 <-K"=0,K'=0<-K"=1,and K'=2<-K"=1 subbands have been observed and assigned.The data were modeled with ~2E and ~2A_1 symmetric top Hamiltonian matrices in a Hund's case(a)basis,using a least squares fitting program.Rotational and fine structure parameters for the A ~2E state were determined.A comparison of the spin-orbit energy separation in the A E state to other strontium containing free radicals showed that the Jahn-Teller effect is negligible.The spin-rotation constants for the A ~2E state were calculated using the pure precession model and were found to be in good agreement with the experimentally determined parameters.These calculations suggest that the A ~2E state of SrCH_3 is not entirely of p orbital character.The rotational constants were used to estimate the structural parameters of SrCH_3 in the A ~2E state.The strontium-carbon bond length was found to decrease by approx 0.006 A,and the hydrogen-carbon-hydrogen bond angle opened by approx 0.8 deg compared to the X~2A_1 state,similar to the geometry changes observed for CaCH_3.
机译:高分辨率激光激发光谱已用于记录激光烧蚀/分子射流源中SrCH_3的A〜2E-X〜2A电子跃迁。由K'-1 <-K“ = 0,K'引起的跃迁= 0 <-K“ = 1,并且已经观察到并分配了K'= 2 <-K” = 1个子带。在〜2E和〜2A_1对称顶级哈密顿矩阵的基础上,建立了Hund's案例(a),使用最小二乘拟合程序确定了A〜2E状态的旋转参数和精细结构参数.AE状态下自旋轨道能量分离与其他含锶自由基的自旋轨道能量分离比较表明,Jahn-Teller效应可忽略不计。使用纯进动模型计算了A〜2E状态的自旋旋转常数,发现与实验确定的参数非常吻合,这些计算表明SrCH_3的A〜2E状态并不完全具有p轨道特征用旋转常数估算SrCH的结构参数_3在A〜2E态。与X〜2A_1态相比,锶-碳键长减少了约0.006 A,氢-碳-氢键角打开了约0.8度。观察到的是CaCH_3。

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