Bosch E, Crozet P, Ross AJ, Brown JM
Laboratoire de Spectrométrie Ionique et Moléculaire, UMR 5579, CNRS, Université Claude Bernard, Lyon I, 43 Bd du 11 Nov. 1918, Villeurbanne Cedex, 69622, France
J Mol Spectrosc. 2000 Aug;202(2):253-261. doi: 10.1006/jmsp.2000.8128.
High-resolution Fourier transform spectra of the laser-induced fluorescence of (63)Cu(37)Cl(2) produced in a cell have been recorded following excitation of a single vibronic level of the E(2)Pi(u) electronic state. Fluorescence occurs in combination bands to a broad spread of levels in the ground electronic state. A global vibronic model is proposed for the ground state based on an effective Hamiltonian, which fits the experimental data (2782 fluorescence lines, lower state quantum numbers: v(1) = 0-6, v(2) = 0-2, v(3) = 0-6, and J = 4(1/2)-80(1/2)) to 0.019 cm(-1) rms error. Vibrational, rotational and Renner-Teller parameters are obtained (e.g., omega(2) = 95.195(36) cm(-1), B(e) = 0.055106(3) cm(-1), epsilon = -0.1893(28)). A revised value for the equilibrium internuclear distance Cu-Cl is deduced: r(e)(Cu-Cl) = 0.20341(3) nm. The energy diagram of vibronic levels in the ground state is plotted up to 4000 cm(-1). Copyright 2000 Academic Press.
在一个细胞中产生的(63)Cu(37)Cl(2)激光诱导荧光的高分辨率傅里叶变换光谱，是在E(2)Pi(u)电子态的单个振转能级被激发后记录的。荧光出现在与基态中广泛分布的能级的组合带中。基于一个有效哈密顿量，为基态提出了一个全局振转模型，该模型将实验数据（2782条荧光线，低态量子数：v(1)=0 - 6，v(2)=0 - 2，v(3)=0 - 6，以及J = 4(1/2)-80(1/2)）拟合到均方根误差为0.019 cm(-1)。获得了振动、转动和伦纳 - 泰勒参数（例如，omega(2)=95.195(36) cm(-1)，B(e)=0.055106(3) cm(-1)，epsilon = -0.1893(28)）。推导出了平衡核间距Cu - Cl的修正值：r(e)(Cu - Cl)=0.20341(3) nm。绘制了基态振转能级的能量图，直至4000 cm(-1)。版权所有2000年学术出版社。
