Infrared Photodissociation Spectroscopy of Mass-Selected Cu2O2(CO)n+ Clusters in the Gas Phase
Infrared Photodissociation Spectroscopy of Mass-Selected Cu2O2(CO)n+ Clusters in the Gas Phase
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气相中质量选择的 Cu2O2(CO)n 团簇的红外光解光谱
DOI：
10.1021/acs.jpca.0c01813
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发表时间：
2020
影响因子：
2.9
通讯作者：
Guanjun Wang
中科院分区：
文献类型：
--
作者：
Ke Xin;Yinjuan Chen;Luning Zhang;Xuefeng Wang;Guanjun Wang
化学计量的Cu 2 O2（CO）n+（n = 3−7）团簇是通过激光蒸发超音速团簇源在气相中产生的，并通过C-O伸缩区域的红外光解光谱进行鉴定。红外光谱进行了解释，并通过密度泛函计算确定的簇结构。Cu_2 O_2（CO）_n ~+配合物的基态由具有[（OC）_xCuOOCu（CO）_y]~+（x + y = n）结构的双铜超氧羰基化合物形成，其中CO配体配位为Z字形Cu（OO）Cu ~+核. Cu（OO）Cu+核簇合物的结构表征对于正确理解金属簇合物催化的相关反应至关重要。
Stoichiometric Cu2O2(CO)n+ (n = 3−7) clusters were generated via a laser vaporization supersonic cluster source in the gas phase and identified by infrared.photodissociation spectroscopy in the C−O stretching region. The infrared spectra were interpreted, and the cluster structures were determined by density functional calculations. The ground states of the Cu2O2(CO)n+ complexes were formed by a dicopper superoxide carbonyl with [(OC)xCuOOCu(CO)y]+ (x + y = n) structures in which the CO ligands coordinate a zigzag Cu(OO)Cu+ core. The structural characterization for the Cu(OO)Cu+ core-based clusters is crucial in order to correctly understand the associated reactions catalyzed by metal clusters.