New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases

2014 ◽  
Vol 33 (22) ◽  
pp. 6290-6293 ◽  
Author(s):  
Laetitia Beaume ◽  
Martin Clémancey ◽  
Geneviève Blondin ◽  
Claudio Greco ◽  
François Y. Pétillon ◽  
...  
Keyword(s):  
Active Site ◽  
Mixed Valence

Theoretical studies on electronic structure and magnetic properties of mixed-valence uteroferrin active site

2010 ◽  
Vol 111 (3) ◽  
pp. 702-710 ◽  
Author(s):  
Kenichi Koizumi ◽  
Mitsuo Shoji ◽  
Kizashi Yamaguchi ◽  
Haruki Nakamura ◽  
Yu Takano
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Active Site ◽  
Mixed Valence ◽  
Theoretical Studies

scholarly journals Mixed-Valence Nickel–Iron Dithiolate Models of the [NiFe]-Hydrogenase Active Site

2012 ◽  
Vol 51 (4) ◽  
pp. 2338-2348 ◽  
Author(s):  
David Schilter ◽  
Mark J. Nilges ◽  
Mrinmoy Chakrabarti ◽  
Paul A. Lindahl ◽  
Thomas B. Rauchfuss ◽  
...  
Keyword(s):  
Active Site ◽  
Mixed Valence ◽  
Nickel Iron

(I,0) Mixed-Valence State of a Diiron Complex with Pertinence to the [FeFe]-Hydrogenase Active Site: An IR, EPR, and Computational Study

2009 ◽  
Vol 48 (23) ◽  
pp. 10883-10885 ◽  
Author(s):  
Pradyumna S. Singh ◽  
Hans Christian Rudbeck ◽  
Ping Huang ◽  
Salah Ezzaher ◽  
Lars Eriksson ◽  
...  
Keyword(s):  
Active Site ◽  
Valence State ◽  
Computational Study ◽  
Mixed Valence ◽  
Mixed Valence State

Mixed-valence [FeIFeII] hydrogenase active site model complexes stabilized by a bidentate carborane bis-phosphine ligand

2012 ◽  
Vol 41 (40) ◽  
pp. 12468 ◽  
Author(s):  
Michael Karnahl ◽  
Stefanie Tschierlei ◽  
Özlen F. Erdem ◽  
Sonja Pullen ◽  
Marie-Pierre Santoni ◽  
...  
Keyword(s):  
Active Site ◽  
Mixed Valence ◽  
Phosphine Ligand ◽  
Model Complexes ◽  
Site Model ◽  
Active Site Model

scholarly journals Redox and Structural Properties of Mixed-Valence Models for the Active Site of the [FeFe]-Hydrogenase: Progress and Challenges

2008 ◽  
Vol 47 (16) ◽  
pp. 7405-7414 ◽  
Author(s):  
Aaron K. Justice ◽  
Luca De Gioia ◽  
Mark J. Nilges ◽  
Thomas B. Rauchfuss ◽  
Scott R. Wilson ◽  
...  
Keyword(s):  
Structural Properties ◽  
Active Site ◽  
Mixed Valence

Controlled one pot synthesis of polyoxofluorovanadate molecular hybrids exhibiting peroxidase like activity

2019 ◽  
Vol 43 (45) ◽  
pp. 17595-17602
Author(s):  
Maria Nicolaou ◽  
Chryssoula Drouza ◽  
Anastasios D. Keramidas
Keyword(s):  
Active Site ◽  
Mixed Valence ◽  
Preparation Process ◽  
One Pot ◽  
One Pot Synthesis ◽  
Trigonal Bipyramidal ◽  
Molecular Hybrids

VV/IV mixed-valence polyoxofluorovanadate clusters have been synthesized through one pot preparation process. The trigonal bipyramidal coordinated vanadium atoms mimic the structure of the active site and activity of the vanadium peroxidases.

Locating Al in the DABCO catalyst before and after Al extraction

1990 ◽  
Vol 48 (4) ◽  
pp. 265-267
Author(s):  
Kathleen B. Reuter
Keyword(s):  
Active Site ◽  
Inverse Relationship ◽  
Transverse Direction ◽  
Reaction Rate ◽  
Acid Phosphate ◽  
Fracture Surfaces ◽  
Al Content ◽  
Before And After ◽  
Relationship Of

The reaction rate and efficiency of piperazine to 1,4-diazabicyclo-octane (DABCO) depends on the Si/Al ratio of the MFI topology catalysts. The Al was shown to be the active site, however, in the Si/Al range of 30-200 the reaction rate increases as the Si/Al ratio increases. The objective of this work was to determine the location and concentration of Al to explain this inverse relationship of Al content with reaction rate.Two silicalite catalysts in the form of 1/16 inch SiO2/Al2O3 bonded extrudates were examined: catalyst A with a Si/Al of 83; and catalyst B, the acid/phosphate Al extracted form of catalyst A, with a Si/Al of 175. Five extrudates from each catalyst were fractured in the transverse direction and particles were obtained from the fracture surfaces near the center of the extrudate diameter. Particles were also obtained from the outside surfaces of five extrudates.

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