Proton-Coupled Electron-Transfer Reactivity Controls Iron versus Sulfur Oxidation in Nonheme Iron–Thiolate Complexes

2021 ◽  
Vol 60 (9) ◽  
pp. 6255-6265
Author(s):  
Jesse B. Gordon ◽  
Jeremy P. McGale ◽  
Maxime A. Siegler ◽  
David P. Goldberg
Keyword(s):  
Electron Transfer ◽  
Sulfur Oxidation ◽  
Nonheme Iron ◽  
Proton Coupled Electron Transfer ◽  
Thiolate Complexes ◽  
Iron Thiolate

scholarly journals Nonheme iron–thiolate complexes as structural models of sulfoxide synthase active sites

2020 ◽  
Vol 49 (48) ◽  
pp. 17745-17757
Author(s):  
Danushka M. Ekanayake ◽  
Anne A. Fischer ◽  
Maya E. Elwood ◽  
Alexandra M. Guzek ◽  
Sergey V. Lindeman ◽  
...  
Keyword(s):  
Computational Methods ◽  
Active Site ◽  
Active Sites ◽  
Structural Models ◽  
Nonheme Iron ◽  
Thiolate Complexes ◽  
Iron Thiolate

Two nonheme iron–thiolate complexes that mimic that active-site structures of sulfoxide synthases have been prepared and characterized using crystallographic, spectroscopic, and computational methods.

Electronic structures and spectroscopic signatures of diiron intermediates generated by O2 activation of nonheme iron(ii)–thiolate complexes

2021 ◽  
Author(s):  
Danushka M. Ekanayake ◽  
Dao Pham ◽  
Andrew L. Probst ◽  
Joshua R. Miller ◽  
Codrina V. Popescu ◽  
...  
Keyword(s):  
Computational Methods ◽  
Electronic Structures ◽  
Nonheme Iron ◽  
O2 Activation ◽  
Thiolate Complexes ◽  
Iron Thiolate ◽  
Spectroscopic Signatures

Spectroscopic and computational methods are employed to elucidate the geometric and electronic structures of diiron intermediates arising from the reaction of biomimetic nonheme iron–thiolate complexes with O2.

scholarly journals Electron–Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer

2021 ◽  
Vol 143 (8) ◽  
pp. 3104-3112
Author(s):  
Yusuke Yoneda ◽  
S. Jimena Mora ◽  
James Shee ◽  
Brian L. Wadsworth ◽  
Eric A. Arsenault ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Nuclear Dynamics ◽  
Proton Coupled Electron Transfer
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