TY - JOUR
T1 - Diiron azadithiolates as models for the iron-only hydrogenase active site
T2 - Synthesis, structure, and stereoelectronics
AU - Lawrence, Joshua D.
AU - Li, Hongxiang
AU - Rauchfuss, Thomas B.
AU - Bénard, Marc
AU - Rohmer, Marie Madeleine
PY - 2001/5/4
Y1 - 2001/5/4
N2 - Most hydrogenase enzymes have organometallic active sites with CO and CN- as ligands and metal-metal bonds. Recent evidence points to a novel 2-aza-1,3propanedithiolate cofactor that directly participates in the heterolytic processing of dihydrogen. A close analogue of this cofactor and its organometallic subunit has been synthesized (see picture); spectroscopic, structural, and theoretical analysis of this model provides detailed insights into the properties of the proposed enzyme active site.
AB - Most hydrogenase enzymes have organometallic active sites with CO and CN- as ligands and metal-metal bonds. Recent evidence points to a novel 2-aza-1,3propanedithiolate cofactor that directly participates in the heterolytic processing of dihydrogen. A close analogue of this cofactor and its organometallic subunit has been synthesized (see picture); spectroscopic, structural, and theoretical analysis of this model provides detailed insights into the properties of the proposed enzyme active site.
KW - Anomeric effect
KW - Cyanides
KW - Density functional calculations
KW - Hydrogenases
KW - S ligands
UR - http://www.scopus.com/inward/record.url?scp=0035805318&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035805318&partnerID=8YFLogxK
U2 - 10.1002/1521-3773(20010504)40:9<1768::AID-ANIE17680>3.0.CO;2-E
DO - 10.1002/1521-3773(20010504)40:9<1768::AID-ANIE17680>3.0.CO;2-E
M3 - Article
AN - SCOPUS:0035805318
VL - 40
SP - 1768
EP - 1771
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
SN - 1433-7851
IS - 9
ER -