Diiron azadithiolates as models for the iron-only hydrogenase active site: Synthesis, structure, and stereoelectronics

Joshua D. Lawrence; Hongxiang Li; Thomas B. Rauchfuss; Marc Bénard; Marie Madeleine Rohmer

doi:10.1002/1521-3773(20010504)40:9<1768::AID-ANIE17680>3.0.CO;2-E

Diiron azadithiolates as models for the iron-only hydrogenase active site: Synthesis, structure, and stereoelectronics

Joshua D. Lawrence, Hongxiang Li, Thomas B. Rauchfuss, Marc Bénard, Marie Madeleine Rohmer

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English (US)
Pages (from-to)	1768-1771
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	40
Issue number	9
DOIs	https://doi.org/10.1002/1521-3773(20010504)40:9<1768::AID-ANIE17680>3.0.CO;2-E
State	Published - May 4 2001

Keywords

Anomeric effect
Cyanides
Density functional calculations
Hydrogenases
S ligands

ASJC Scopus subject areas

Chemistry(all)

Online availability

10.1002/1521-3773(20010504)40:9<1768::AID-ANIE17680>3.0.CO;2-E

Library availability

Discover UIUC Full Text

Cite this

Diiron azadithiolates as models for the iron-only hydrogenase active site : Synthesis, structure, and stereoelectronics. / Lawrence, Joshua D.; Li, Hongxiang; Rauchfuss, Thomas B.; Bénard, Marc; Rohmer, Marie Madeleine.

In: Angewandte Chemie - International Edition, Vol. 40, No. 9, 04.05.2001, p. 1768-1771.

Research output: Contribution to journal › Article › peer-review

@article{08b89acd23714af98e4c956c12081407,

title = "Diiron azadithiolates as models for the iron-only hydrogenase active site: Synthesis, structure, and stereoelectronics",

abstract = "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.",

keywords = "Anomeric effect, Cyanides, Density functional calculations, Hydrogenases, S ligands",

author = "Lawrence, {Joshua D.} and Hongxiang Li and Rauchfuss, {Thomas B.} and Marc B{\'e}nard and Rohmer, {Marie Madeleine}",

year = "2001",

month = may,

day = "4",

doi = "10.1002/1521-3773(20010504)40:9<1768::AID-ANIE17680>3.0.CO;2-E",

language = "English (US)",

volume = "40",

pages = "1768--1771",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

publisher = "John Wiley & Sons, Ltd.",

number = "9",

}

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 -

Diiron azadithiolates as models for the iron-only hydrogenase active site: Synthesis, structure, and stereoelectronics

Abstract

Keywords

ASJC Scopus subject areas

Online availability

Library availability

Related links

Fingerprint

Cite this