Three-membered beryllium ring, Be3: not just a hydrogen bond acceptor

Abstract

Quantum chemical calculations predict that the three-membered beryllium ring, Be₃ is not just a hydrogen bond acceptor. It is a bond breaker. Calculations reveal that the global minimum geometry of Be₃HX (X = F, Cl, OH, CN) features a linear geometry with complete cleavage of the H–X bond along with linearization of the Be₃ unit. The linear geometry is radical stabilized Be trimer, R–Be–Be–Be–R. Thus, the present study clearly reveals that the Be₃ ring has more to offer than just showing hydrogen bond accepting ability.