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A theoretical study of the positive and dipositive ions of M(NH3)n and M(H2O)n for M = Mg, Ca, or Sr
- Source :
- Journal of Chemical Physics. 96
- Publication Year :
- 1992
- Publisher :
- United States: NASA Center for Aerospace Information (CASI), 1992.
-
Abstract
- The structure and binding energies are determined for many of the M(H2O)n(+) and M(H2O)n(2+) species, for n = 1-3 and M = Mg, Ca, or Sr. The trends are explained in terms of metal sp or sd-sigma hybridization and core polarization. The M(NH3)n(+) systems, with M = Mg or Sr, are also studied. For the positive ions, the low-lying excited states are also studied and compared with experiment. The calculations suggest an alternative interpretation of the SrNH3(+) spectrum.
- Subjects :
- Atomic And Molecular Physics
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 96
- Database :
- NASA Technical Reports
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Report
- Accession number :
- edsnas.19920047417
- Document Type :
- Report
- Full Text :
- https://doi.org/10.1063/1.462808