首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Photodissociation Spectroscopy of the Anionic Copper Nitrate Association Complex Cu(NO_3)_3~-
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Photodissociation Spectroscopy of the Anionic Copper Nitrate Association Complex Cu(NO_3)_3~-

机译:阴离子硝酸铜缔合配合物Cu(NO_3)_3〜-的光解离光谱

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摘要

We report the UV photodissociation spectrum of mass-selected Cu(NO_3)_3~-ions at photon energies between 3.0 and 5.6 eV. Upon photon absorption,→NO_3·Cu(NO_3)_3~-undergoes reductive dissociation losing neutral NO_3 and resulting in the formation of Cu(NO_3)_2~-. The experimental results are discussed and interpreted with the aid of quantum-chemical calculations. The parent ion is calculated to have C_2 symmetry with a strongly distorted octahedral coordination around the Cu ion. Time-dependent density functional theory is used to describe the accessible electronic transitions, which can be characterized as ligand-to-metal charge transfer transitions from the nitrate ligands to the copper ion.
机译:我们报告了质量选择的Cu(NO_3)_3〜-离子在3.0至5.6 eV之间的光子能量下的紫外光解离光谱。在吸收光子后,→NO_3·Cu(NO_3)_3〜发生还原离解,失去中性NO_3,形成Cu(NO_3)_2〜-。通过量子化学计算讨论和解释了实验结果。计算出母离子具有C_2对称性,并且在Cu离子周围具有严重扭曲的八面体配位。随时间变化的密度泛函理论用于描述可访问的电子跃迁,其特征可以是从硝酸盐配体到铜离子的配体到金属的电荷转移跃迁。

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