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Gas-phase characterization of the neutral and cationic Si2O2 molecules. A combined experimental and ab initio study

✍ Scribed by Norman Goldberg; Muhammad Iraqi; Wolfram Koch; Helmut Schwarz

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 508 KB
Volume: 225
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)87102-7

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✦ Synopsis

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Collision experiments are reported for the generation and characterization of the neutral and cationic SisO, molecule. In addition to the experimental character&ion of Si202, high-level ab initio calculations ( CCSD (T ) /PVTZ//MP2/6-3 11 G (df ) ) have been performed in order to support the experimental findings. The study reveals that the global minimum on both cationic and neutral surfaces corresponds to a bicyclic rhombohedric structure.

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