Publication Date:
2011-09-07
Description:
A combination of anion photoelectron spectroscopy and density functional theory calculations has elucidated the geometric and electronic structure of gas-phase endohedral Pt/Pb cage cluster anions. The anions, and were prepared from “preassembled” clusters generated from crystalline samples of [K(2,2,2-crypt)]2[Pt @ Pb12] that were brought into the gas phase using a unique infrared desorption/photoemission anion source. The use of crystalline [K(2,2,2-crypt)]2[Pt @ Pb12] also provided access to K[Pt @ Pbn]- anions in the gas phase (i.e., the K+ salts of the anions). Anion photoelectron spectra of , , and K[Pt @ Pb12]1- are presented. Extensive density functional theory calculations on and provided candidate structures and anion photoelectron spectra for and . Together, the calculated and measured photoelectron spectra show that and endohedral complexes maintain their respective D4d and slightly distorted Ih symmetries in the gas phase even for the charge states with open shell character. Aside from the fullerenes, the endohedral complex is the only bare cluster that has been structurally characterized in the solid state, solution, and the gas phase.
Print ISSN:
0027-8424
Electronic ISSN:
1091-6490
Topics:
Biology
,
Medicine
,
Natural Sciences in General
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