Toward selective oxidation of contaminants in aqueous systems

Z Yang, J Qian, C Shan, H Li, Y Yin… - Environmental Science & …, 2021 - ACS Publications
The presence of diverse pollutants in water has been threating human health and aquatic
ecosystems on a global scale. For more than a century, chemical oxidation using strongly …

Iron and manganese oxo complexes, oxo wall and beyond

VA Larson, B Battistella, K Ray, N Lehnert… - Nature Reviews …, 2020 - nature.com
High-valent metal–oxo species with multiply-bonded M–O groups have been proposed as
key intermediates in many biological and abiological catalytic oxidation reactions. These …

Oxygen activation and radical transformations in heme proteins and metalloporphyrins

X Huang, JT Groves - Chemical reviews, 2017 - ACS Publications
As a result of the adaptation of life to an aerobic environment, nature has evolved a panoply
of metalloproteins for oxidative metabolism and protection against reactive oxygen species …

Heme and nonheme high-valent iron and manganese oxo cores in biological and abiological oxidation reactions

M Guo, T Corona, K Ray, W Nam - ACS Central Science, 2018 - ACS Publications
Utilization of O2 as an abundant and environmentally benign oxidant is of great interest in
the design of bioinspired synthetic catalytic oxidation systems. Metalloenzymes activate O2 …

The essential role of bond energetics in C–H activation/functionalization

XS Xue, P Ji, B Zhou, JP Cheng - Chemical reviews, 2017 - ACS Publications
The most fundamental concepts in chemistry are structure, energetics, reactivity and their
inter-relationships, which are indispensable for promoting chemistry into a rational science …

Status of reactive non-heme metal–oxygen intermediates in chemical and enzymatic reactions

K Ray, FF Pfaff, B Wang, W Nam - Journal of the American …, 2014 - ACS Publications
Selective functionalization of unactivated C–H bonds, water oxidation, and dioxygen
reduction are extremely important reactions in the context of finding energy carriers and …

Density functional theory for transition metals and transition metal chemistry

CJ Cramer, DG Truhlar - Physical Chemistry Chemical Physics, 2009 - pubs.rsc.org
We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

Tuning reactivity and mechanism in oxidation reactions by mononuclear nonheme iron (IV)-oxo complexes

W Nam, YM Lee, S Fukuzumi - Accounts of chemical research, 2014 - ACS Publications
Conspectus Mononuclear nonheme iron enzymes generate high-valent iron (IV)-oxo
intermediates that effect metabolically important oxidative transformations in the catalytic …

C H Bond Activation in Transition Metal Species from a Computational Perspective

D Balcells, E Clot, O Eisenstein - Chemical reviews, 2010 - ACS Publications
Alkanes constitute the cheapest and most abundant feedstock for organic chemicals.
However, the redistribution of CsC and CsH bonds in hydrocarbons into more sophisticated …

Oxidation Reactions with Bioinspired Mononuclear Non‐Heme Metal–Oxo Complexes

X Engelmann, I Monte‐Pérez… - Angewandte Chemie …, 2016 - Wiley Online Library
The selective functionalization of strong C− H bonds and the oxidation of water by cheap
and nontoxic metals are some of the key targets of chemical research today. It has been …