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...
| Main Authors: | , , , |
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| Format: | Article |
| Published: |
American Institute of Physics
2014
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| Online Access: | https://eprints.nottingham.ac.uk/28797/ |