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Infrared Photodissociation Spectroscopy of Mass-Selected Cu2O2(CO)n+ Clusters in the Gas Phase.
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2020-04-30 , DOI: 10.1021/acs.jpca.0c01813 Ke Xin 1 , Yinjuan Chen 1 , Luning Zhang 1 , Xuefeng Wang 1 , Guanjun Wang 2
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2020-04-30 , DOI: 10.1021/acs.jpca.0c01813 Ke Xin 1 , Yinjuan Chen 1 , Luning Zhang 1 , Xuefeng Wang 1 , Guanjun Wang 2
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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.
中文翻译：
气相中质量选择的Cu2O2（CO）n +团簇的红外光解离光谱。
化学计量的Cu2O2（CO）n +（n = 3-7）团簇是通过气相中的激光汽化超声团簇源生成的，并通过红外光解离光谱法在CO拉伸区域中进行了鉴定。解释红外光谱，并通过密度泛函计算确定团簇结构。Cu2O2（CO）n +配合物的基态是由具有[[OC] xCuOOCu（CO）y] +（x + y = n）结构的双铜超氧化物羰基形成的，其中CO配位体配成锯齿形Cu（OO） Cu +芯。Cu（OO）Cu +核基团簇的结构表征对于正确理解金属团簇催化的相关反应至关重要。
更新日期：2020-04-16
中文翻译：
气相中质量选择的Cu2O2（CO）n +团簇的红外光解离光谱。
化学计量的Cu2O2（CO）n +（n = 3-7）团簇是通过气相中的激光汽化超声团簇源生成的，并通过红外光解离光谱法在CO拉伸区域中进行了鉴定。解释红外光谱，并通过密度泛函计算确定团簇结构。Cu2O2（CO）n +配合物的基态是由具有[[OC] xCuOOCu（CO）y] +（x + y = n）结构的双铜超氧化物羰基形成的，其中CO配位体配成锯齿形Cu（OO） Cu +芯。Cu（OO）Cu +核基团簇的结构表征对于正确理解金属团簇催化的相关反应至关重要。
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