Prediction of Nonclassical Hydrogen Complexes of Nontransition Metals

Abstract

In the past few years, theoretical and computational work, including the effects of electron correlation, allowed the prediction of nonclassical hydrogen complexes of nontransition metals. In this Comment, these results are connected to others, starting with H₃ ⁺, and a review of the “nonclassical” binding features of molecular H₂ to metais and nonmetals is given. As an example, the prediction of the structure of a new such complex, the Li₄H₂ ²⁺, is made.