Comparative kinetics and DFT study of Zn( <scp>ii</scp> ) metalation in [H <sub>2</sub> TTMAPP] <sup>4+</sup> and [H <sub>2</sub> TMPyP]
Md. Samsul Hoque Dany
Nusrat Jahan Upoma
F. Ferdousi
A. K. Mohiuddin
Md. Jahidul Islam
Shi-Zhen Zhao
M. Nojima
Ahsan Habib
Abstract
[Zn(H 2 O) 5 (OH)] + initiates faster Zn( ii ) metalation of [H 2 TMPyP] 4+ than [H 2 TTMAPP] 4+ via hydrogen bonding, while DFT reveals steric origins of reactivity differences, and DNA binding shifts from intercalation to outside stacking upon metalation.