Fielicke André, Mitrić Roland, Meijer Gerard, Bonacić-Koutecký Vlasta, von Helden Gert
FOM Institute for Plasma Physics "Rijnhuizen", Edisonbaan 14, NL-3439 MN Nieuwegein, The Netherlands.
J Am Chem Soc. 2003 Dec 24;125(51):15716-7. doi: 10.1021/ja036264d.
Infrared spectra of complexes of small vanadium oxide clusters with ethene are determined using infrared multiple photon dissociation (IR-MPD) spectroscopy in the range of 550-1850 cm-1. The structures of the complexes have been identified by comparison of the experimental spectra with the harmonic vibrational frequencies and corresponding IR intensities of possible isomers calculated with DFT methods. We find that the ethene molecule binds directly to a vanadium atom in the cluster, although this it is not in all cases the most stable arrangement.
使用红外多光子解离（IR-MPD）光谱在550 - 1850 cm-1范围内测定了小氧化钒团簇与乙烯配合物的红外光谱。通过将实验光谱与用密度泛函理论（DFT）方法计算的可能异构体的谐波振动频率和相应的红外强度进行比较，确定了配合物的结构。我们发现乙烯分子直接与团簇中的钒原子结合，尽管在所有情况下这并非最稳定的排列方式。
