A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise's Anion and Its Bromine and Iodine Analogues

Shining light on Zeise: In a study of Zeise's anion, [PtCl3(C2H4)]−, and its bromine and iodine analogues, electronic structure information for each species, derived from spectral features, is assigned through calculations at the coupled cluster level of theory. The calculations indicate that t...

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Veröffentlicht in:Angewandte Chemie (International ed.) 2012-06, Vol.51 (26), p.6356-6360
Hauptverfasser: Hou, Gao-Lei, Wen, Hui, Lopata, Kenneth, Zheng, Wei-Jun, Kowalski, Karol, Govind, Niranjan, Wang, Xue-Bin, Xantheas, Sotiris S.
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Sprache:eng
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Zusammenfassung:Shining light on Zeise: In a study of Zeise's anion, [PtCl3(C2H4)]−, and its bromine and iodine analogues, electronic structure information for each species, derived from spectral features, is assigned through calculations at the coupled cluster level of theory. The calculations indicate that the electron binding energies decrease with halogen size and that there is a synergistic η2 interaction between C2H4 and the PtX3− anions.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201201959