Quantum tunnelling explains why several supposedly stable benzene isomers will never be made

Structures

Source: © Sebastian Kozuch/Ben-Gurion University of the Negev

Research highlights importance of considering quantum effects in computational studies on strained molecules

Over a quarter of hypothetical tricyclic benzene isomers that earlier computational studies had classed as stable are completely unsynthesisable due to quantum tunnelling. That’s according to quantum chemistry calculations by Sindy Julieth Rodríguez and Sebastian Kozuch from Ben-Gurion University of the Negev in Israel.