Teptarakulkarn P.Lorpaiboon W.Anusanti T.Laowiwatkasem N.Chainok K.Sangtrirutnugul P.Surawatanawong P.Chantarojsiri T.Mahidol University2023-06-182023-06-182022-07-25Inorganic Chemistry Vol.61 No.29 (2022) , 11066-1107400201669https://repository.li.mahidol.ac.th/handle/123456789/84179Cations such as Lewis acids have been shown to enhance the catalytic activity of high-valent Fe-oxygen intermediates. Herein, we present a pyridine diamine ethylene glycol macrocycle, which can form Zn(II)-or Fe(III)-complex with the NNN site, while allowing redox-inactive cations to bind to the ethylene glycol moiety. The addition of alkali, alkali earth, and lanthanum ions resulted in positive shifts to the Fe(III/II) redox potential. Calculation of dissociation constants showed the tightest binding with a Ba2+ion. Density functional theory calculations were used to elucidate the effects of redox inactive cations toward the electronic structures of Fe complexes. Although the Fe-NNN complexes, both in the absence and presence of cations, can catalyze C-H oxidation of 9,10-dihydroanthracene, to give anthracene [hydrogen atom transfer (HAT) product], anthrone, and anthraquinone [oxygen atom transfer (OAT) products], highest overall activity and OAT/HAT product ratios were obtained in the presence of dications, that is, Ba2+and Mg2+, respectively.ChemistryArticleSCOPUS10.1021/acs.inorgchem.2c007622-s2.0-851352032351520510X35815773