HM+ and HM+‑He (M = Group 2 metal): Chemical or physical interactions?

We investigate the HM+‑He complexes (M = Group 2 metal) using quantum chemistry. Equilibrium geometries are linear for M = Be and Mg, and bent for M = Ca–Ra; the explanation for this lies in the differing nature of the highest occupied molecular orbitals in the two sets of complexes. The difference...

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Bibliographic Details
Published in:The Journal of chemical physics 2014-09, Vol.141 (9), p.094306
Main Authors: Harris, Joe P., Dodson, Hannah, Breckenridge, W. H., Wright, Timothy G.
Format: Article
Language:English
Subjects:
BINDING ENERGY
Calcium
CHEMICAL BONDS
Coordination compounds
ELECTRON DENSITY
HELIUM
HELIUM COMPLEXES
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
INTERACTIONS
Magnesium
METALS
Molecular orbitals
Organic chemistry
Physics
Quantum chemistry
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