Luis Leyva‐Parra

Resonance-Structure Collapse Enables Aromaticity-Controlled Design of Small Singlet-Fission Chromophore Candidates

Abstract Precise control of singlet and triplet excited-state energies is essential for identifying singlet-fission chromophore candidates, particularly in compact heteroarenes with competing resonance structures. Here, we show that heteroatom-controlled resonance-structure selec...

Planar Tetracoordinate Hydrogen Stabilized Within Alkali Metal–Halogen Frameworks

A D 4h screening of the 25 H©M 4 X 4 − combinations (M = Li–Cs; X = F–At), followed by unbiased global‐minimum searches on the nine vibrationally stable candidates, reveals eight previously unreported planar tetracoordinate hydrogen (ptH) global minima adopting D 4h symmetry, bri...

E2(η6–Be6H6) (E = Si–Pb): Doubly Aromatic Inverse-Sandwich Complexes

Abstract We report E2(η6-Be6H6) (E═Si, Ge, Sn, Pb), a new family of doubly aromatic inverse sandwich clusters in which a tetrel diatomic is sandwiched between a beryllium hydride ring. All four members adopt a singlet D6h global minimum, separated from the nearest competing isome...