%0 Generic %A Diez-Castellnou, Marta %A Salassa, Giovanni %A Mancin, Fabrizio %A Scrimin, Paolo %D 2019 %T Data_Sheet_1_The Zn(II)-1,4,7-Trimethyl-1,4,7-Triazacyclononane Complex: A Monometallic Catalyst Active in Two Protonation States.PDF %U https://frontiersin.figshare.com/articles/dataset/Data_Sheet_1_The_Zn_II_-1_4_7-Trimethyl-1_4_7-Triazacyclononane_Complex_A_Monometallic_Catalyst_Active_in_Two_Protonation_States_PDF/8484758 %R 10.3389/fchem.2019.00469.s001 %2 https://frontiersin.figshare.com/ndownloader/files/15761075 %K RNA %K monometallic Zn(II)-complexes %K azacrown %K phosphate cleavage %K phosphoesterase models %K kinetics %X

In this paper, the unusual reactivity of the complex Zn(II)-1,4,7-trimethyl-1, 4,7-triazacyclononane (2) in the transesterification of the RNA-model substrate, HPNP (3), is reported. The dependence of the reactivity (k2) with pH does not follow the characteristic bell-shape profile typical of complexes with penta-coordinated metal centers. By the contrary, two reactive species, featuring different deprotonation states, are present, with the tri-aqua complex being more reactive than the mono-hydroxy-diaqua one. Apparently, such a difference arises from the total complex charge which plays an important role in the stability of the transition state/s of the reactions. Relevant insight on the reaction mechanism were hence obtained.

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