Incipient chemical bond formation of Xe to a cationic silicon cluster :
نویسندگان
چکیده
The size-selective vibrational spectrum of Si4Xe in the 240-500 cm 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. • The IR spectrum of Si4Xe is obtained using infrared multiple photon dissociation • Its spectrum differs from that predicted for bare Si4, indicating a distinct influence of Xe • The interaction of Xe with Si4 results in the formation of an incipient chemical Si-Xe bond to be submitted for publication in Chem. Phys. Lett. on 04.02.2013
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