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GAS-PHASE CHARACTERIZATION OF THE NEURAL AND CATIONIC SI2O2 MOLECULES- A COMBINED EXPERIMENTAL AND AB-INITIO STUDY

Authors

GOLDBERG N IRAQI M KOCH W SCHWARZ H

Citation

N. Goldberg et al., GAS-PHASE CHARACTERIZATION OF THE NEURAL AND CATIONIC SI2O2 MOLECULES- A COMBINED EXPERIMENTAL AND AB-INITIO STUDY, Chemical physics letters, 225(4-6), 1994, pp. 404-409

Citations number

Categorie Soggetti

Physics, Atomic, Molecular & Chemical

Journal title

Chemical physics letters → ACNP

ISSN journal

00092614

Volume

225

Issue

4-6

Year of publication

1994

Pages

404 - 409

Database

ISI

SICI code

0009-2614(1994)225:4-6<404:GCOTNA>2.0.ZU;2-Y

Abstract

Collision experiments are reported for the generation and characteriza tion of the neutral and cationic Si2O2 molecule. In addition to the ex perimental characterization of Si2O2, high-level ab initio calculation s (CCSD(T)/PVTZ//MP2/6-31 IG(df)) have been performed in order to supp ort the experimental findings. The study reveals that the global minim um on both cationic and neutral surfaces corresponds to a bicyclic rho mbohedric structure.