Fig. 4: The migration of the acylium ion from the side pocket to the 12MR channel. | Nature Communications

Fig. 4: The migration of the acylium ion from the side pocket to the 12MR channel.

From: Charge-separation driven mechanism via acylium ion intermediate migration during catalytic carbonylation in mordenite zeolite

Fig. 4: The migration of the acylium ion from the side pocket to the 12MR channel.

a Free energy profile of the movement of the acylium ion from the side pocket to the 12MR channel without MeOH or DME in the 12MR channel, b free energy profile of the movement of the acylium ion into the 12MR channel previously occupied by DME and the further formation of MAMe+, c free energy profile of the movement of the acylium ion into the 12MR channel previously occupied by MeOH and the further formation of MAH+.

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