Three-membered beryllium ring, Be 3 : not just a hydrogen bond acceptor.

Published in: Physical chemistry chemical physics : PCCP (2023)

Quantum chemical calculations predict that the three-membered beryllium ring, Be 3 is not just a hydrogen bond acceptor. It is a bond breaker. Calculations reveal that the global minimum geometry of Be 3 HX (X = F, Cl, OH, CN) features a linear geometry with complete cleavage of the H-X bond along with linearization of the Be 3 unit. The linear geometry is radical stabilized Be trimer, R-Be-Be-Be-R. Thus, the present study clearly reveals that the Be 3 ring has more to offer than just showing hydrogen bond accepting ability.

Keyphrases

molecular dynamics
transition metal
density functional theory
molecular dynamics simulations
energy transfer
monte carlo
genome wide
squamous cell carcinoma
single cell
lymph node metastasis
electron transfer
dna methylation
visible light
dna binding