{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T12:31:52Z","timestamp":1789389112447,"version":"build-2803163510"},"reference-count":73,"publisher":"American Chemical Society (ACS)","issue":"46","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Am. Chem. Soc."],"published-print":{"date-parts":[[2004,11,1]]},"DOI":"10.1021\/ja049050k","type":"journal-article","created":{"date-parts":[[2004,11,17]],"date-time":"2004-11-17T06:17:35Z","timestamp":1100672255000},"page":"15151-15160","source":"Crossref","is-referenced-by-count":89,"title":["[Fe<sub>2<\/sub>(SR)<sub>2<\/sub>(\u03bc-CO)(CNMe)<sub>6<\/sub>]<sup>2+<\/sup> and Analogues:\u2009 A New Class of Diiron Dithiolates as Structural Models for the H<sub>o<\/sub><sub>x<\/sub><sup>A<\/sup><sup>ir<\/sup> State of the Fe-Only Hydrogenase"],"prefix":"10.1021","volume":"126","author":[{"given":"Christine A.","family":"Boyke","sequence":"first","affiliation":[{"name":"Contribution from the Department of Chemistry, University of Illinois, Urbana, Illinois 61801, and Laboratoire de Chemie Quantique, UMR 7551, CNRS and Universit\u00e9 Louis Pasteur, F-67000 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thomas B.","family":"Rauchfuss","sequence":"additional","affiliation":[{"name":"Contribution from the Department of Chemistry, University of Illinois, Urbana, Illinois 61801, and Laboratoire de Chemie Quantique, UMR 7551, CNRS and Universit\u00e9 Louis Pasteur, F-67000 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Scott R.","family":"Wilson","sequence":"additional","affiliation":[{"name":"Contribution from the Department of Chemistry, University of Illinois, Urbana, Illinois 61801, and Laboratoire de Chemie Quantique, UMR 7551, CNRS and Universit\u00e9 Louis Pasteur, F-67000 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marie-Madeleine","family":"Rohmer","sequence":"additional","affiliation":[{"name":"Contribution from the Department of Chemistry, University of Illinois, Urbana, Illinois 61801, and Laboratoire de Chemie Quantique, UMR 7551, CNRS and Universit\u00e9 Louis Pasteur, F-67000 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marc","family":"B\u00e9nard","sequence":"additional","affiliation":[{"name":"Contribution from the Department of Chemistry, University of Illinois, Urbana, Illinois 61801, and Laboratoire de Chemie Quantique, UMR 7551, CNRS and Universit\u00e9 Louis Pasteur, F-67000 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2004,10,29]]},"reference":[{"key":"ja049050kb00001\/ja049050kb00001_1","doi-asserted-by":"crossref","DOI":"10.1201\/9780203471043","volume-title":"Hydrogen as a Fuel","author":"Cammack R.","year":"2001"},{"key":"ja049050kb00002\/ja049050kb00002_1","first-page":"145","volume":"1020","author":"Adams M. W. W.","year":"1990","journal-title":"Biochim. Biophys. Acta"},{"key":"ja049050kb00003\/ja049050kb00003_1","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1002\/1439-7633(20020301)3:2\/3<153::AID-CBIC153>3.0.CO;2-B","volume":"3","author":"Frey M.","year":"2002","journal-title":"ChemBioChem."},{"key":"ja049050kb00004\/ja049050kb00004_1","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/S0969-2126(99)80005-7","volume":"7","author":"Nicolet Y.","year":"1999","journal-title":"Structure"},{"key":"ja049050kb00005\/ja049050kb00005_1","doi-asserted-by":"crossref","first-page":"1858","DOI":"10.1126\/science.282.5395.1858","volume":"282","author":"Peters J. W.","year":"1998","journal-title":"Science"},{"key":"ja049050kb00006\/ja049050kb00006_1","doi-asserted-by":"crossref","first-page":"12973","DOI":"10.1021\/bi9913193","volume":"38","author":"Lemon B. J.","year":"1999","journal-title":"Biochemistry"},{"key":"ja049050kb00007\/ja049050kb00007_1","doi-asserted-by":"crossref","first-page":"275","DOI":"10.1039\/b201317g","volume":"32","author":"Evans D. J.","year":"2003","journal-title":"J. Chem. Soc. Rev."},{"key":"ja049050kb00008\/ja049050kb00008_1","doi-asserted-by":"crossref","first-page":"3688","DOI":"10.1073\/pnas.0536955100","volume":"100","author":"Darensbourg M. Y.","year":"2003","journal-title":"Proc. Natl. Acad. Sci. of U.S.A."},{"key":"ja049050kb00009\/ja049050kb00009_1","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1021\/ic0343760","volume":"43","author":"Rauchfuss T. B.","year":"2004","journal-title":"Inorg. Chem."},{"key":"ja049050kb00010\/ja049050kb00010_1","first-page":"3794","volume":"122","author":"Lemon B. J.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00011\/ja049050kb00011_1","doi-asserted-by":"crossref","first-page":"1601","DOI":"10.1021\/ja0020963","volume":"123","author":"Nicolet Y.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00012\/ja049050kb00012_1","doi-asserted-by":"crossref","first-page":"3337","DOI":"10.1074\/jbc.274.6.3331","volume":"274","author":"Pierik A. J.","year":"1999","journal-title":"J. Biol. Chem."},{"key":"ja049050kb00013\/ja049050kb00013_1","first-page":"4038","volume":"4030","author":"Volbeda A.","year":"2003","journal-title":"Dalton Trans."},{"key":"ja049050kb00014\/ja049050kb00014_1","doi-asserted-by":"crossref","first-page":"1601","DOI":"10.1021\/ja0020963","volume":"123","author":"Nicolet Y.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00015\/ja049050kb00015_1","first-page":"727","volume":"124","author":"Li H.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00016\/ja049050kb00016_1","first-page":"224","volume":"67","author":"Holm R. H.","year":"1995","journal-title":"Pure Appl. Chem."},{"key":"ja049050kb00017\/ja049050kb00017_1","doi-asserted-by":"crossref","first-page":"659","DOI":"10.1126\/science.277.5326.653","volume":"277","author":"Beinert H.","year":"1997","journal-title":"Science"},{"key":"ja049050kb00018\/ja049050kb00018_1","doi-asserted-by":"crossref","first-page":"7460","DOI":"10.1021\/bi992583z","volume":"39","author":"Bennett B.","year":"2000","journal-title":"Biochemistry"},{"key":"ja049050kb00019\/ja049050kb00019_1","doi-asserted-by":"crossref","first-page":"578","DOI":"10.1046\/j.1432-1327.1998.2580572.x","volume":"258","author":"Pierik A. J.","year":"1998","journal-title":"Eur. J. Biochem."},{"key":"ja049050kb00020\/ja049050kb00020_1","first-page":"2043","volume":"41","author":"Chen Z.","year":"2002","journal-title":"Biochemistry"},{"key":"ja049050kb00021\/ja049050kb00021_1","first-page":"5182","volume":"124","author":"Liu Z.-P.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00022\/ja049050kb00022_1","first-page":"3742","volume":"123","author":"Cao Z.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00023\/ja049050kb00023_1","volume-title":"Biochemistry and Physiology of Anaerobic Bacteria","author":"Huynh B. H.","year":"2003"},{"key":"ja049050kb00024\/ja049050kb00024_1","first-page":"9737","volume":"121","author":"Schmidt M.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00025\/ja049050kb00025_1","first-page":"3180","volume":"38","author":"Lyon E. J.","year":"1999","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ja049050kb00026\/ja049050kb00026_1","first-page":"2286","volume":"2285","author":"Le Cloirec A.","year":"1999","journal-title":"J. Chem. Commun."},{"key":"ja049050kb00027\/ja049050kb00027_1","doi-asserted-by":"crossref","first-page":"1771","DOI":"10.1002\/1521-3773(20010504)40:9<1768::AID-ANIE17680>3.0.CO;2-E","volume":"40","author":"Lawrence J. D.","year":"2001","journal-title":"Angew Chem., Int. Ed. Engl."},{"key":"ja049050kb00028\/ja049050kb00028_1","doi-asserted-by":"crossref","first-page":"6582","DOI":"10.1021\/ic025838x","volume":"41","author":"Gloaguen F.","year":"2002","journal-title":"Inorg. Chem."},{"key":"ja049050kb00029\/ja049050kb00029_1","first-page":"9477","volume":"123","author":"Gloaguen F.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00030\/ja049050kb00030_1","first-page":"9711","volume":"123","author":"Zhao X.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00031\/ja049050kb00031_1","first-page":"1483","volume":"1482","author":"Lawrence J. D.","year":"2001","journal-title":"Chem. Commun."},{"key":"ja049050kb00032\/ja049050kb00032_1","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1002\/jlac.19284650106","volume":"465","author":"Reihlen H.","year":"1928","journal-title":"Justus Liebigs Ann. Chem."},{"key":"ja049050kb00033\/ja049050kb00033_1","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1016\/0022-328X(85)87094-7","volume":"281","author":"Seyferth D.","year":"1985","journal-title":"J. Organomet. Chem."},{"key":"ja049050kb00034\/ja049050kb00034_1","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1016\/S0022-328X(00)92345-3","volume":"177","author":"Arabi M. S.","year":"1979","journal-title":"J. Organomet. Chem."},{"key":"ja049050kb00035\/ja049050kb00035_1","first-page":"701","volume":"700","author":"Razavet M.","year":"2002","journal-title":"J. Chem. Commun."},{"key":"ja049050kb00036\/ja049050kb00036_1","doi-asserted-by":"crossref","first-page":"6195","DOI":"10.1021\/ic025919t","volume":"41","author":"Lawrence J. D.","year":"2002","journal-title":"Inorg. Chem."},{"key":"ja049050kb00037\/ja049050kb00037_1","doi-asserted-by":"crossref","first-page":"3397","DOI":"10.1021\/ja00479a022","volume":"100","author":"Mitschler A.","year":"1978","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00038\/ja049050kb00038_1","first-page":"256","volume":"13","author":"Cotton F. A.","year":"1974","journal-title":"Inorg. Chem."},{"key":"ja049050kb00039\/ja049050kb00039_1","first-page":"802","volume":"800","author":"Cotton F. A.","year":"1974","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"ja049050kb00040\/ja049050kb00040_1","first-page":"227","volume":"219","author":"Bassett J. M.","year":"1981","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"ja049050kb00041\/ja049050kb00041_1","doi-asserted-by":"crossref","first-page":"206","DOI":"10.1560\/2LY5-KGWM-1JE1-H1H0","volume":"41","author":"Adams R. D.","year":"2001","journal-title":"Isr. J. Chem."},{"key":"ja049050kb00042\/ja049050kb00042_1","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1021\/om00092a018","volume":"7","author":"Lyons L. J.","year":"1988","journal-title":"Organometallics"},{"key":"ja049050kb00043\/ja049050kb00043_1","volume-title":"Comptes Rendus C:\u2009 Sci. Chim","author":"Savariault J. M.","year":"1977"},{"key":"ja049050kb00044\/ja049050kb00044_1","doi-asserted-by":"crossref","first-page":"6582","DOI":"10.1021\/ic025838x","volume":"41","author":"Gloaguen F.","year":"2002","journal-title":"Inorg. Chem."},{"key":"ja049050kb00045\/ja049050kb00045_1","first-page":"3278","volume":"123","author":"Lyon E. J.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00046\/ja049050kb00046_1","first-page":"1656","volume":"1655","author":"Dance I.","year":"1999","journal-title":"Chem. Commun."},{"key":"ja049050kb00047\/ja049050kb00047_1","first-page":"5182","volume":"124","author":"Liu Z.-P.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00048\/ja049050kb00048_1","first-page":"266","volume":"238","author":"Georgakaki I. P.","year":"2003","journal-title":"Coord. Chem. Rev."},{"key":"ja049050kb00049\/ja049050kb00049_1","first-page":"8180","volume":"117","author":"Liu Z.-P.","year":"2002","journal-title":"J. Chem. Phys."},{"key":"ja049050kb00050\/ja049050kb00050_1","first-page":"3829","volume":"123","author":"Fan H.-J.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00051\/ja049050kb00051_1","doi-asserted-by":"crossref","first-page":"1429","DOI":"10.1021\/ic010770r","volume":"41","author":"Bruschi M.","year":"2002","journal-title":"Inorg. Chem."},{"key":"ja049050kb00052\/ja049050kb00052_1","doi-asserted-by":"crossref","first-page":"4733","DOI":"10.1021\/ic035326y","volume":"43","author":"Bruschi M.","year":"2004","journal-title":"Inorg. Chem."},{"key":"ja049050kb00053\/ja049050kb00053_1","doi-asserted-by":"crossref","first-page":"4781","DOI":"10.1021\/ic0262132","volume":"42","author":"Bruschi M.","year":"2003","journal-title":"Inorg. Chem."},{"key":"ja049050kb00054\/ja049050kb00054_1","volume-title":"Orbital Interactions in Chemistry","author":"Albright T. A.","year":"1985"},{"key":"ja049050kb00057\/ja049050kb00057_1","doi-asserted-by":"crossref","first-page":"3633","DOI":"10.1021\/om030312l","volume":"22","author":"Willner H.","year":"2003","journal-title":"Organometallics"},{"key":"ja049050kb00058\/ja049050kb00058_1","first-page":"5323","volume":"40","author":"Adams R. D.","year":"2001","journal-title":"Inorg. Chem."},{"key":"ja049050kb00059\/ja049050kb00059_1","volume-title":"Metal Carbonyl Spectra","author":"Braterman P. S.","year":"1975"},{"key":"ja049050kb00060\/ja049050kb00060_1","doi-asserted-by":"crossref","first-page":"11233","DOI":"10.1021\/ja002441o","volume":"122","author":"De Lacey A. L.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ja049050kb00061\/ja049050kb00061_1","first-page":"77","volume":"46","author":"Schuster R. E.","year":"1966","journal-title":"Org. Synth."},{"key":"ja049050kb00062\/ja049050kb00062_1","doi-asserted-by":"crossref","first-page":"922","DOI":"10.1021\/cr940053x","volume":"96","author":"Connelly N. G.","year":"1996","journal-title":"Chem. Rev."},{"key":"ja049050kb00063\/ja049050kb00063_1","first-page":"1436","volume":"37","author":"Winter A.","year":"1982","journal-title":"Z. Naturforsch."},{"key":"ja049050kb00064\/ja049050kb00064_1","volume-title":"The Netherlands","author":"User's Guide","year":"1997"},{"key":"ja049050kb00065\/ja049050kb00065_1","first-page":"51","volume":"2","author":"Baerends E. J.","year":"1973","journal-title":"Chem. Phys."},{"key":"ja049050kb00066\/ja049050kb00066_1","doi-asserted-by":"crossref","first-page":"98","DOI":"10.1016\/0021-9991(92)90277-6","volume":"99","author":"Te Velde G.","year":"1992","journal-title":"J. Comput. Phys."},{"key":"ja049050kb00067\/ja049050kb00067_1","unstructured":"Fonseca-Guerra, C.; Visser, O.; Snijders, J. G.; Baerends, E. J. InMethods and Techniques in Computational Chemistry:\u2009 METECC-95; Clementi, E., Corongiu, G., Eds.; STEF:\u2009 Cagliari, Italy, 1995; pp 305\u2212395."},{"key":"ja049050kb00068\/ja049050kb00068_1","doi-asserted-by":"crossref","unstructured":"Becke, A. D.Phys. Rev. A:\u2009 Gen. Phys.1988,38, 3098\u22123100.","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ja049050kb00069\/ja049050kb00069_1","doi-asserted-by":"crossref","first-page":"4529","DOI":"10.1063\/1.450025","volume":"84","author":"Becke A. D.","year":"1986","journal-title":"J. Chem. Phys."},{"key":"ja049050kb00070\/ja049050kb00070_1","first-page":"8824","volume":"33","author":"Perdew J. P.","year":"1986","journal-title":"Phys. Rev."},{"key":"ja049050kb00071\/ja049050kb00071_1","doi-asserted-by":"crossref","first-page":"7406","DOI":"10.1103\/PhysRevB.34.7406","volume":"34","author":"Perdew J. P.","year":"1986","journal-title":"Phys. Rev."},{"key":"ja049050kb00072\/ja049050kb00072_1","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1139\/p80-159","volume":"58","author":"Vosko S. H.","year":"1980","journal-title":"Can. J. Phys."},{"key":"ja049050kb00073\/ja049050kb00073_1","first-page":"509","volume":"26","author":"Snijders J. G.","year":"1981","journal-title":"J. At. Data Nucl. Data Tables"},{"key":"ja049050kb00074\/ja049050kb00074_1","volume-title":"Slater type basis functions for the whole periodic table","author":"Vernooijs P.","year":"1981"},{"key":"ja049050kb00075\/ja049050kb00075_1","unstructured":"Lawrence, J. D.Structural and Functional Models of the Iron-onlyHydrogenase Enzymes, Ph.D. Dissertation, University of Illinois at Urbana-Champaign, Urbana, 2002."}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ja049050k","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,23]],"date-time":"2021-09-23T18:36:54Z","timestamp":1632422214000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ja049050k"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2004,10,29]]},"references-count":73,"journal-issue":{"issue":"46","published-print":{"date-parts":[[2004,11,1]]}},"alternative-id":["10.1021\/ja049050k"],"URL":"https:\/\/doi.org\/10.1021\/ja049050k","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2004,10,29]]}}}