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A theoretical study of Mg(CO2)+n and Sr(CO2)+n for n = 1 and 2 and Mg2CO+2

โœ Scribed by Mariona Sodupe; Charles W. Bauschlicher Jr.; Harry Partridge

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
783 KB
Volume
192
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The structure and binding energies are determined for M&CO,).+ and Sr(CO,),' for n= 1 and 2. We also consider Mg: and Mg#ZO: to compare the binding of CO1 to a single metal ion with the binding to a diatomic ion. The vertical excitation energies are computed for all species. The potential energy curves for the low-lying states of Mg$ are reported. The MgCO$ results are in good agreement with the experimental results of Duncan and co-workers.

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