Gas phase infrared spectroscopy of mono- and divanadium oxide cluster cations
Gas phase infrared spectroscopy of mono- and divanadium oxide cluster cations
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DOI：
10.1063/1.1650833
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发表时间：
2004-04-08
影响因子：
4.4
通讯作者：
Sauer, J
中科院分区：
文献类型：
--
作者：
Asmis, KR;Meijer, G;Sauer, J
本文用红外光解方法研究了钒氧化物团簇阳离子VO_（1 -3）~+和V_2 O_（2 -6）~+在600 ~ 1600波数范围内的振动光谱。裸露的钒氧化物簇阳离子的密度泛函计算的结果的实验耗尽光谱的比较允许在大多数情况下，VO 1 -3+和V2 O 5，6+，也是电子基态的簇几何形状的明确识别。所有研究的二钒簇合物阳离子的一个共同的结构基序是一个四元V-O-V-O环，在550-900波数区域具有三个特征吸收带。对于V-O-V和V=O伸缩振动模式，振动频率与V-O键距的关系符合Badger规则。(C)2004年，美国物理学会。
The vibrational spectroscopy of the mono- and divanadium oxide cluster cations VO1-3+ and V2O2-6+ is studied in the region from 600 to 1600 wave numbers by infrared photodissociation of the corresponding cluster cation-helium atom complexes. The comparison of the experimental depletion spectra with the results of density functional calculations on bare vanadium oxide cluster cations allows for an unambiguous identification of the cluster geometry in most cases and, for VO1-3+ and V2O5,6+, also of the electronic ground state. A common structural motif of all the studied divanadium cluster cations is a four-membered V-O-V-O ring, with three characteristic absorption bands in the 550-900 wave number region. For the V-O-V and V=O stretch modes the relationship between vibrational frequencies and V-O bond distances follows the Badger rule. (C) 2004 American Institute of Physics.