Why lithiation results large enhancement of second hyperpolarizability of delta shaped complexes M-C2H2 (M = Be, Mg and Ca)?
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DOI: 10.1016/j.cplett.2019.01.055
Abstract: Abstract Lithiation of M-C2H2 results significant enhancement of second-hyperpolarizability. The negatively polarized π-surface of C2Li2 raises the molecular orbital energies which strongly favours both metal-HOMO to ligand-LUMO and ligand-HOMO to metal-LUMO charge transfer interactions. Due… read more here.
Keywords: large enhancement; lithiation results; second hyperpolarizability; enhancement second ... See more keywords