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A Density Functional Theory Study on the Active Center of Fe-Only Hydrogenase: Characterization and Electronic Structure of the Redox States

✍ Scribed by Liu, Zhi-Pan; Hu, P.


Book ID
126013501
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
145 KB
Volume
124
Category
Article
ISSN
0002-7863

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## Abstract Modulation of the Fe redox levels within the diiron dithiolato carbonyls with the coordination of a redox‐active phosphane is reported. Treatment of [Fe~2~{μ‐S(CH~2~)~2~NR(CH~2~)~2~S}(CO)~6~]~2~ and [Fe~2~(μ‐pdt)(CO)~6~] with mppf affords the phosphane substituted species, [Fe~2~{μ‐S(CH