We revisit "classical" issues in multiply bonded systems between main groups elements, namely the structural distortions that may occur at the multiple bonds and that lead, e.g., to trans-bent and bond-length alternated structures. The focus is on the role that orbital hybridization and electron correlation play in this context, here analyzed with the help of simple models for σ- and π-bonds, numerically exact solutions of Hubbard Hamiltonians and (density functional theory) investigations of an extended set of systems.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8270318 | PMC |
| http://dx.doi.org/10.3390/molecules26133805 | DOI Listing |
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