Incipient chemical bond formation of Xe to a cationic silicon cluster: 
Vibrational spectroscopy and structure of the Si4Xe+ complex

Savoca, Marco; Langer, Judith; Harding, Daniel J.; Dopfer, Otto; Fielicke, André

doi:10.1016/j.cplett.2012.12.020

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Incipient chemical bond formation of Xe to a cationic silicon cluster: Vibrational spectroscopy and structure of the Si₄Xe⁺ complex

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Harding, Daniel J.
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Fielicke, André
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Si4Xe_CPL.pdf
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引用

Savoca, M., Langer, J., Harding, D. J., Dopfer, O., & Fielicke, A. (2013). Incipient chemical bond formation of Xe to a cationic silicon cluster: Vibrational spectroscopy and structure of the Si₄Xe⁺ complex. Chemical Physics Letters, 557, 49-52. doi:10.1016/j.cplett.2012.12.020.

引用: https://hdl.handle.net/11858/00-001M-0000-000E-95EB-2

要旨

The size-selective vibrational spectrum of Si₄Xe⁺ in the 240–500 cm^-1 range has been recorded using infrared (IR) multiple photon dissociation spectroscopy. Comparison to linear IR absorption spectra of Si₄⁺ and Si₄Xe⁺ calculated using density functional theory including dispersion corrections reveals an important influence of the Xe ligand on the structure of the cluster, involving significant charge transfer and formation of an incipient chemical Si–Xe bond with De = 0.3 eV.