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首页> 外文期刊>The Journal of Chemical Physics >Characterization of the vibrational properties of copper difluoride anion and neutral ground states via direct and indirect photodetachment spectroscopy
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Characterization of the vibrational properties of copper difluoride anion and neutral ground states via direct and indirect photodetachment spectroscopy

机译：通过直接和间接光散谱光谱表征二氟化铜阴离子和中性地位型振动性质的表征

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摘要

Photoelectron spectra of (CuF2-)-Cu-63 are reported at wavelengths 310 nm, 346.6 nm, and 350.1 nm, obtained via velocity map imaging. The photoelectron angular distributions allow for the unambiguous assignment of a (2)Sigma(+)(g) neutral CuF2 ground state. Vibrational analysis of the direct detachment transitions in the spectra enables accurate determination of the anion and neutral bond length difference (0.073 A), adiabatic electron affinity of CuF2 (3.494 eV) and symmetric stretching (500 cm(-1), anion, and 630 cm(-1), neutral) and antisymmetric stretching (610 cm(-1), anion, and 782 cm(-1) neutral) frequencies of the ground electronic states. Strongly photon energy dependent intensities are also observed for select transitions. Equation-of-motion coupled-cluster singles and doubles calculations augmented by a complex absorbing potential reveal a metastable (1)Pi(g) anion state which is optically accessible due to Renner-Teller coupling. Mediation of the detachment process by this state allows measurement of the bending frequencies (177 cm(-1), anion, and 200 cm(-1), neutral) completing the inventory of experimentally measured vibrational properties of the ground electronic states. Published by AIP Publishing.
机译：（CUF2 - ） - Cu-63的光电子光谱在波长310nm，346.6nm和350.1nm处报道，得到通过速度图成像获得的。光电子角角分布允许用于（2）Σ（+）（g）中性CUF2接地状态的明确分配。振动分析光谱中的直接分离转变能够精确测定阴离子和中性键长差（0.073A），Cuf2（3.494eV）和对称拉伸的绝热电子亲和力（500cm（-1），阴离子和630 CM（-1），中性的和反对称拉伸（610cm（-1），阴离子和782cm（-1）中性的地面电子状态的频率。选择强烈的光子能量依赖性强度对于选择过渡也被观察到。通过复杂的吸收电位增强的运动耦合簇单打和加倍计算，显示了由于Renner-Teller耦合而可光学访问的亚稳态（1）Pi（g）阴离子状态。通过该状态的分离过程的调解允许测量弯曲频率（177cm（-1），阴离子和200cm（-1），中立的中性）完成地面电子状态的实验测量的振动性质的库存。通过AIP发布发布。

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