An Investigation of the Template Effects in the Synthesis of Monobenzo-15-Crown-5 Ether by Moleculaer Dynamics Simulation
The molecular dynamics simulations of the template effects of alkali metal cations for the synthesis of monobenzo-15-crown-5 were performed. The simulation results qualitatively duplicate the experimental results and Na<SUP>+</SUP> ion was found to be the best template ion among alkali metal cations.
- Chemistry letters
Chemistry letters 1996(3), 181-182, 1996-03-05
The Chemical Society of Japan