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Oxygen activation and radical transformations in heme proteins and metalloporphyrins
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 …
of metalloproteins for oxidative metabolism and protection against reactive oxygen species …
Copper–oxygen complexes revisited: structures, spectroscopy, and reactivity
CE Elwell, NL Gagnon, BD Neisen, D Dhar… - Chemical …, 2017 - ACS Publications
A longstanding research goal has been to understand the nature and role of copper–oxygen
intermediates within copper-containing enzymes and abiological catalysts. Synthetic …
intermediates within copper-containing enzymes and abiological catalysts. Synthetic …
P450 Enzymes: Their Structure, Reactivity, and Selectivity Modeled by QM/MM Calculations
The introduction of oxygen into biochemical processes has brought about an evolutionary
leap in the history of life, whereby many organisms have evolved to use oxygen as part of …
leap in the history of life, whereby many organisms have evolved to use oxygen as part of …
Chemistry with methane: concepts rather than recipes
H Schwarz - Angewandte Chemie International Edition, 2011 - Wiley Online Library
Four seemingly simple transformations related to the chemistry of methane will be
addressed from mechanistic and conceptual points of view: 1) metal‐mediated …
addressed from mechanistic and conceptual points of view: 1) metal‐mediated …
Two-State Reactivity as a New Concept in Organometallic Chemistry§
It is proposed that spin-crossing effects can dramatically affect reaction mechanisms, rate
constants, branching ratios, and temperature behaviors of organometallic transformations …
constants, branching ratios, and temperature behaviors of organometallic transformations …
The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces
The phenyl cation is known to have two low-energy minima, corresponding to 1 A 1 and 3 B
1 states, the first of which is more stable by ca. 25 kcal/mol. The minimum energy crossing …
1 states, the first of which is more stable by ca. 25 kcal/mol. The minimum energy crossing …
Gas‐phase catalysis by atomic and cluster metal ions: the ultimate single‐site catalysts
Gas‐phase experiments with state‐of‐the‐art techniques of mass spectrometry provide
detailed insights into numerous elementary processes. The focus of this Review is on …
detailed insights into numerous elementary processes. The focus of this Review is on …
Thermal hydrogen‐atom transfer from methane: the role of radicals and spin states in oxo‐cluster chemistry
N Dietl, M Schlangen, H Schwarz - … Chemie International Edition, 2012 - Wiley Online Library
Abstract Hydrogen‐atom transfer (HAT), as one of the fundamental reactions in chemistry, is
investigated with state‐of‐the‐art gas‐phase experiments in conjunction with computational …
investigated with state‐of‐the‐art gas‐phase experiments in conjunction with computational …
The spin-forbidden transition in iron (IV)-oxo catalysts relevant to two-state reactivity
Quintet oxoiron (IV) intermediates are often invoked in nonheme iron enzymes capable of
performing selective oxidation, while most well-characterized synthetic model oxoiron (IV) …
performing selective oxidation, while most well-characterized synthetic model oxoiron (IV) …
High-Oxidation-State 3d Metal (Ti–Cu) Complexes with N-Heterocyclic Carbene Ligation
J Cheng, L Wang, P Wang, L Deng - Chemical Reviews, 2018 - ACS Publications
High-oxidation-state 3d metal species have found a wide range of applications in modern
synthetic chemistry and materials science. They are also implicated as key reactive species …
synthetic chemistry and materials science. They are also implicated as key reactive species …