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.