{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T20:24:47Z","timestamp":1790022287074,"version":"4.0.1"},"reference-count":47,"publisher":"Wiley","issue":"44","license":[{"start":{"date-parts":[[2019,10,22]],"date-time":"2019-10-22T00:00:00Z","timestamp":1571702400000},"content-version":"am","delay-in-days":329,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#am"},{"start":{"date-parts":[[2018,11,27]],"date-time":"2018-11-27T00:00:00Z","timestamp":1543276800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R15GM112395"],"award-info":[{"award-number":["R15GM112395"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000086","name":"Directorate for Mathematical and Physical Sciences","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000086","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000086","name":"Directorate for Mathematical and Physical Sciences","doi-asserted-by":"publisher","award":["CHE\u20101608331"],"award-info":[{"award-number":["CHE\u20101608331"]}],"id":[{"id":"10.13039\/100000086","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Eur J Inorg Chem"],"published-print":{"date-parts":[[2018,12,2]]},"abstract":"<jats:p>We present the synthesis, properties, and characterization of [Fe(T1Et4iPrIP)(NO)(H<jats:sub>2<\/jats:sub>O)<jats:sub>2<\/jats:sub>](OTf)<jats:sub>2<\/jats:sub> (<jats:bold>1<\/jats:bold>) {T1Et4iPrIP = Tris(1\u2010ethyl\u20104\u2010isopropyl\u2010imidazolyl)phosphine} as a model for the nitrosyl adduct of gentisate 1,2\u2010dioxygenase (GDO). The further characterization of [Fe(T1Et4iPrIP)(THF)(NO)(OTf)](OTf) (<jats:bold>2<\/jats:bold>) which was previously communicated (Inorg. Chem. <jats:bold>2014<\/jats:bold>, 53, 5414) is also presented. The weighted average Fe\u2013N\u2013O angle of 162\u00b0 for <jats:bold>1<\/jats:bold> is very close to linear (\u2265 165\u00b0) for these types of complexes. The coordinated water ligands participate in hydrogen bonding interactions. The spectral properties (EPR, UV\/Vis, FTIR) for <jats:bold>1<\/jats:bold> are compared with <jats:bold>2<\/jats:bold> and found to be quite comparable. Complex <jats:bold>1<\/jats:bold> closely follows the relationship between the Fe\u2013N\u2013O angle and NO vibrational frequency which was previously identified for six\u2010coordinate {FeNO}<jats:sup>7<\/jats:sup> complexes. Liquid FTIR studies on <jats:bold>2<\/jats:bold> indicate that the \u03bd(NO) vibration position is sensitive to solvent shifting to lower energy (relative to the solid) in donor solvent THF and shifting to higher energy in dichloromethane. The basis for this behavior is discussed. The <jats:italic>K<\/jats:italic><jats:sub>eq<\/jats:sub> for NO binding in <jats:bold>2<\/jats:bold> was calculated in THF and found to be 470 <jats:sc>m<\/jats:sc><jats:sup>\u20131<\/jats:sup>. Density functional theory (DFT) studies on <jats:bold>1<\/jats:bold> indicate donation of electron density to the iron center from the \u03c0* orbitals of formally NO<jats:sup>\u2013<\/jats:sup>. Such a donation accounts for the near linearity of the Fe\u2013N\u2013O bond and the large \u03bd(NO) value of 1791 cm<jats:sup>\u20131<\/jats:sup>.<\/jats:p>","DOI":"10.1002\/ejic.201800992","type":"journal-article","created":{"date-parts":[[2018,10,22]],"date-time":"2018-10-22T06:35:27Z","timestamp":1540190127000},"page":"4797-4804","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["A Structural Model for the Iron\u2013Nitrosyl Adduct of Gentisate Dioxygenase"],"prefix":"10.1002","volume":"2018","author":[{"given":"Atanu","family":"Banerjee","sequence":"first","affiliation":[{"name":"Department of Chemistry Oakland University  48309\u20104477 Rochester MI USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jia","family":"Li","sequence":"additional","affiliation":[{"name":"Department of Chemistry Oakland University  48309\u20104477 Rochester MI USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amy L.","family":"Speelman","sequence":"additional","affiliation":[{"name":"Department of Chemistry The University of Michigan  48109\u20101055 Ann Arbor MI USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Corey J.","family":"White","sequence":"additional","affiliation":[{"name":"Department of Chemistry The University of Michigan  48109\u20101055 Ann Arbor MI USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Piotr L.","family":"Pawlak","sequence":"additional","affiliation":[{"name":"Department of Chemistry Oakland University  48309\u20104477 Rochester MI USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"William W.","family":"Brennessel","sequence":"additional","affiliation":[{"name":"Department of Chemistry University of Rochester  14627\u20100216 Rochester NY USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nicolai","family":"Lehnert","sequence":"additional","affiliation":[{"name":"Department of Chemistry The University of Michigan  48109\u20101055 Ann Arbor MI USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5716-0916","authenticated-orcid":false,"given":"Ferman A.","family":"Chavez","sequence":"additional","affiliation":[{"name":"Department of Chemistry Oakland University  48309\u20104477 Rochester MI USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2018,11,27]]},"reference":[{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1365-2958.2006.05334.x"},{"key":"e_1_2_6_3_1","doi-asserted-by":"publisher","DOI":"10.1110\/ps.035881.108"},{"key":"e_1_2_6_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(18)45688-8"},{"key":"e_1_2_6_5_1","doi-asserted-by":"publisher","DOI":"10.1093\/femsle\/fnv211"},{"key":"e_1_2_6_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/gzw061"},{"key":"e_1_2_6_7_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep14307"},{"key":"e_1_2_6_8_1","doi-asserted-by":"publisher","DOI":"10.1128\/AEM.07651-11"},{"key":"e_1_2_6_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi00134a010"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00107a015"},{"key":"e_1_2_6_11_1","doi-asserted-by":"publisher","DOI":"10.1093\/rheumatology\/40.suppl_1.22"},{"key":"e_1_2_6_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201501380"},{"key":"e_1_2_6_13_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic403126p"},{"key":"e_1_2_6_14_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201607044"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201607044"},{"key":"e_1_2_6_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic500558j"},{"key":"e_1_2_6_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic00116a020"},{"key":"e_1_2_6_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2012.05.007"},{"key":"e_1_2_6_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00094a035"},{"key":"e_1_2_6_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja029523s"},{"key":"e_1_2_6_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2012.02.033"},{"key":"e_1_2_6_21_1","doi-asserted-by":"publisher","DOI":"10.1039\/dt9880000931"},{"key":"e_1_2_6_22_1","doi-asserted-by":"publisher","DOI":"10.1039\/c1dt11000d"},{"key":"e_1_2_6_23_1","volume-title":"Metal Nitrosyls","author":"Richter\u2010Addo G. B.","year":"1992"},{"key":"e_1_2_6_24_1","first-page":"303","author":"Wolf M.","year":"2017","journal-title":"Eur. J. Inorg. Chem."},{"key":"e_1_2_6_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi00077a020"},{"key":"e_1_2_6_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201601330"},{"key":"e_1_2_6_27_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja111693f"},{"key":"e_1_2_6_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ica.2010.04.023"},{"key":"e_1_2_6_29_1","doi-asserted-by":"publisher","DOI":"10.1039\/c0dt00247j"},{"key":"e_1_2_6_30_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja4064487"},{"key":"e_1_2_6_31_1","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3765(20021216)8:24<5709::AID-CHEM5709>3.0.CO;2-I"},{"key":"e_1_2_6_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic0301627"},{"key":"e_1_2_6_33_1","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201601172"},{"key":"e_1_2_6_34_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b12741"},{"key":"e_1_2_6_35_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic990584"},{"key":"e_1_2_6_36_1","doi-asserted-by":"publisher","DOI":"10.1039\/b901390c"},{"key":"e_1_2_6_37_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.5b00595"},{"key":"e_1_2_6_38_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.7b02333"},{"key":"e_1_2_6_39_1","first-page":"1518","volume":"114","author":"Radon M.","year":"2010","journal-title":"J. Phys. B"},{"key":"e_1_2_6_40_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201305291"},{"key":"e_1_2_6_40_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201305291"},{"key":"e_1_2_6_41_1","unstructured":"APEX2 version2011.4\u20131; Bruker AXS: Madison WI 2011."},{"key":"e_1_2_6_42_1","unstructured":"G. M. Sheldrick SADABS version2008\/1; University of G\u00f6ttingen: G\u00f6ttingen Germany 2008."},{"key":"e_1_2_6_43_1","unstructured":"SAINT version 7.68A; Bruker AXS: Madison WI 2009."},{"key":"e_1_2_6_44_1","unstructured":"M. J.Frisch G. W.Trucks H. B.Schlegel G. E.Scuseria M. A.Robb J. R.Cheeseman G.Scalmani V.Barone B.Mennucci G. A.Petersson H.Nakatsuji M.Caricato X.Li H. P.Hratchian A. F.Izmaylov J.Bloino G.Zheng J. L.Sonnenberg M.Hada M.Ehara K.Toyota R.Fukuda J.Hasegawa M.Ishida T.Nakajima Y.Honda O.Kitao H.Nakai T.Vreven J. A.MontgomeryJr J. E.Peralta F.Ogliaro M.Bearpark J. J.Heyd E.Brothers K. N.Kudin V. N.Staroverov R.Kobayashi J.Normand K.Raghavachari A.Rendell J. C.Burant S. S.Iyengar J.Tomasi M.Cossi N.Rega J. M.Millam M.Klene J. E.Knox J. B.Cross V.Bakken C.Adamo J.Jaramillo R.Gomperts R. E.Stratmann O.Yazyev A. J.Austin R.Cammi C.Pomelli J. W.Ochterski R. L.Martin K.Morokuma V. G.Zakrzewski G. A.Voth P.Salvador J. J.Dannenberg S.Dapprich A. D.Daniels \u00d6.Farkas J. B.Foresman J. V.Ortiz J.CioslowskiandD. J.Fox Gaussian 09 Revision C.01 Gaussian Inc. Wallingford CT 2010."},{"key":"e_1_2_6_45_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.460447"},{"key":"e_1_2_6_46_1","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-17"}],"container-title":["European Journal of Inorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fejic.201800992","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/ejic.201800992","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/ejic.201800992","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/am-pdf\/10.1002\/ejic.201800992","content-type":"application\/pdf","content-version":"am","intended-application":"syndication"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/ejic.201800992","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T14:03:27Z","timestamp":1760364207000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/ejic.201800992"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,11,27]]},"references-count":47,"journal-issue":{"issue":"44","published-print":{"date-parts":[[2018,12,2]]}},"alternative-id":["10.1002\/ejic.201800992"],"URL":"https:\/\/doi.org\/10.1002\/ejic.201800992","archive":["Portico"],"relation":{},"ISSN":["1434-1948","1099-0682"],"issn-type":[{"value":"1434-1948","type":"print"},{"value":"1099-0682","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,11,27]]},"assertion":[{"value":"2018-08-18","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2018-11-27","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}