{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,27]],"date-time":"2026-03-27T06:55:28Z","timestamp":1774594528429,"version":"3.50.1"},"reference-count":93,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2023,4,5]],"date-time":"2023-04-05T00:00:00Z","timestamp":1680652800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"University of Pisa"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Diiron \u03bc-aminocarbyne complexes [Fe2Cp2(NCMe)(CO)(\u03bc-CO){\u03bc-CN(Me)(R)}]CF3SO3 (R = Xyl, [1aNCMe]CF3SO3; R = Me, [1bNCMe]CF3SO3; R = Cy, [1cNCMe]CF3SO3; R = CH2Ph, [1dNCMe]CF3SO3), freshly prepared from tricarbonyl precursors [1a\u2013d]CF3SO3, reacted with NaOCN (in acetone) and NBu4SCN (in dichloromethane) to give [Fe2Cp2(kN-NCO)(CO)(\u03bc-CO){\u03bc-CN(Me)(R)}] (R = Xyl, 2a; Me, 2b; Cy, 2c) and [Fe2Cp2(kN-NCS)(CO)(\u03bc-CO){\u03bc-CN(Me)(CH2Ph)}], 3 in 67\u201381% yields via substitution of the acetonitrile ligand. The reaction of [1aNCMe\u20131cNCMe]CF3SO3 with KSeCN in THF at reflux temperature led to the cyanide complexes [Fe2Cp2(CN)(CO)(\u03bc-CO){\u03bc-CNMe(R)}], 6a\u2013c (45\u201367%). When the reaction of [1aNCMe]CF3SO3 with KSeCN was performed in acetone at room temperature, subsequent careful chromatography allowed the separation of moderate amounts of [Fe2Cp2(kSe-SeCN)(CO)(\u03bc-CO){\u03bc-CN(Me)(Xyl)}], 4a, and [Fe2Cp2(kN-NCSe)(CO)(\u03bc-CO){\u03bc-CN(Me)(Xyl)}], 5a. All products were fully characterized by elemental analysis, IR, and multinuclear NMR spectroscopy; moreover, the molecular structure of trans-6b was ascertained by single crystal X-ray diffraction. DFT calculations were carried out to shed light on the coordination mode and stability of the {NCSe-} fragment.<\/jats:p>","DOI":"10.3390\/molecules28073251","type":"journal-article","created":{"date-parts":[[2023,4,6]],"date-time":"2023-04-06T01:10:27Z","timestamp":1680743427000},"page":"3251","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Diiron Aminocarbyne Complexes with NCE\u2212 Ligands (E = O, S, Se)"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4239-8195","authenticated-orcid":false,"given":"Giulio","family":"Bresciani","sequence":"first","affiliation":[{"name":"Department of Chemistry and Industrial Chemistry, University of Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy"},{"name":"Interuniversity Consortium for Chemical Reactivity and Catalysis, CIRCC, Via Celso Ulpiani 27, I-70126 Bari, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0739-0518","authenticated-orcid":false,"given":"Stefano","family":"Zacchini","sequence":"additional","affiliation":[{"name":"Interuniversity Consortium for Chemical Reactivity and Catalysis, CIRCC, Via Celso Ulpiani 27, I-70126 Bari, Italy"},{"name":"Department of Industrial Chemistry \u201cToso Montanari\u201d, University of Bologna, Viale Risorgimento 4, I-40136 Bologna, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6375-4411","authenticated-orcid":false,"given":"Guido","family":"Pampaloni","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Industrial Chemistry, University of Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy"},{"name":"Interuniversity Consortium for Chemical Reactivity and Catalysis, CIRCC, Via Celso Ulpiani 27, I-70126 Bari, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4259-1027","authenticated-orcid":false,"given":"Marco","family":"Bortoluzzi","sequence":"additional","affiliation":[{"name":"Interuniversity Consortium for Chemical Reactivity and Catalysis, CIRCC, Via Celso Ulpiani 27, I-70126 Bari, Italy"},{"name":"Department of Molecular Science and Nanosystems, University of Venezia \u201cCa\u2019 Foscari\u201d, Via Torino 155, I-30170 Mestre, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3683-8708","authenticated-orcid":false,"given":"Fabio","family":"Marchetti","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Industrial Chemistry, University of Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy"},{"name":"Interuniversity Consortium for Chemical Reactivity and Catalysis, CIRCC, Via Celso Ulpiani 27, I-70126 Bari, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,4,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1016\/S0010-8545(00)80174-5","article-title":"Recent Developments in the Coordination Chemistry of Ambidentate Ligands","volume":"1","author":"Burmeister","year":"1966","journal-title":"Coord. Chem. Rev."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1016\/j.ica.2011.03.002","article-title":"New Thiocyanato and Azido Adducts of the Redox-Active Fe(\u03b75-C5Me5)(\u03b72-Dppe) Center: Synthesis and Study of the Fe(II) and Fe(III) Complexes","volume":"374","author":"Malvolti","year":"2011","journal-title":"Inorg. Chim. Acta"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"2119","DOI":"10.1021\/ic3025149","article-title":"Ambidentate Thiocyanate and Cyanate Ligands in Dinitrosyl Iron Complexes","volume":"52","author":"Hsieh","year":"2013","journal-title":"Inorg. Chem."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"1113","DOI":"10.1021\/ic50041a007","article-title":"Coordination Complexes of the Selenocyanate Ion","volume":"5","author":"Burmeister","year":"1966","journal-title":"Inorg. Chem."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"3340","DOI":"10.1016\/j.jorganchem.2007.03.043","article-title":"Cyclopentadienyl Chromium Complexes with Halide, Methyl, Isothiocyanate and Isoselenocyanate Ligands: Structures of [\u03b75-(C5H4-COOCH3)]Cr(NO)2(Br) and [\u03b75-(C5H4-COOCH3)]Cr(NO)2(NCS)","volume":"692","author":"Wang","year":"2007","journal-title":"J. Organomet. Chem."},{"key":"ref_6","doi-asserted-by":"crossref","unstructured":"Ribas, J., Diaz, C., Solans, X., and Font-Bard\u00eda, M. (1997). A New One-Dimensional System Starting from a Trinuclear Copper(II) Complex and Selenocyanate as Bridging Ligand. Comparison with the Thiocyanate Analogue. Comparison with the Thiocyanate Analogue. J. Chem. Soc. Dalton Trans., 35\u201338.","DOI":"10.1039\/a604430a"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"396","DOI":"10.1002\/chem.200601296","article-title":"Pillars, Layers, Pores and Networks from Nickeltripyrrins: A Porphyrin Fragment as a Versatile Building Block for the Construction of Supramolecular Assemblies","volume":"13","author":"Prikhodovski","year":"2007","journal-title":"Chem. Eur. J."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/j.ejmech.2013.07.039","article-title":"Synthesis, Characterization and Biological Activity of Three Square-Planar Complexes of Ni(II) with Ethyl (2E)-2-[2-(Diphenylphosphino)Benzylidene]Hydrazinecarboxylate and Monodentate Pseudohalides","volume":"68","author":"Bacchi","year":"2013","journal-title":"Eur. J. Med. Chem."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"10165","DOI":"10.1039\/D1SC01426A","article-title":"Phosphorescent [3 + 2 + 1] Coordinated Ir(III) Cyano Complexes for Achieving Efficient Phosphors and Their Application in OLED Devices","volume":"12","author":"Wu","year":"2021","journal-title":"Chem. Sci."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"4572","DOI":"10.1021\/ic202462a","article-title":"Platinum(II) Diimine Complexes with Halide\/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","volume":"51","author":"Chatterjee","year":"2012","journal-title":"Inorg. Chem."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"244","DOI":"10.1016\/j.ica.2013.01.032","article-title":"Iron(II) Complexes with a Linear Pentadentate Ligand H2L1=bis(N,N\u2032-2-Methylimidazol-4-Yl-Methylideneaminopropyl)Methylamine and a Monodentate Ligand X (X=N3\u2212, NCS\u2212, NCSe\u2212)","volume":"400","author":"Murakami","year":"2013","journal-title":"Inorg. Chim. Acta"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/j.molstruc.2008.04.018","article-title":"Activation of Isocyanate Ligands in Ru25+ Complexes","volume":"890","author":"Barral","year":"2008","journal-title":"J. Mol. Struct."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"12965","DOI":"10.1002\/anie.201307097","article-title":"Activation of Dinitrogen-Derived Hafnium Nitrides for Nucleophilic N-C Bond Formation with a Terminal Isocyanate","volume":"52","author":"Semproni","year":"2013","journal-title":"Angew. Chem. Int. Ed."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1016\/S0022-328X(00)83488-9","article-title":"The Crystal and Molecular Structure of Cyclopentadienyliron Dicarbonyl Isothiocyanate","volume":"184","author":"Berndt","year":"1980","journal-title":"J. Organomet. Chem."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"18814","DOI":"10.1039\/C5RA23891A","article-title":"Cyclopentadienyl Iron Dicarbonyl (CpFe(CO)2) Derivatives as Apoptosis-Inducing Agents","volume":"6","author":"Poh","year":"2016","journal-title":"RSC Adv."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1021\/ic50119a030","article-title":"Rates and Mechanisms of Substitution Reactions of Palladium(II) Thiocyanate and Selenocyanate Linkage Isomers","volume":"12","author":"Johnson","year":"1973","journal-title":"Inorg. Chem."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1007\/BF01024191","article-title":"Formation of Linkage Isomers via the Substitution of Halides by Selenocyanate in Ruthenium(III) Complexes","volume":"16","author":"Chakravarty","year":"1991","journal-title":"Transit. Met. Chem."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"12386","DOI":"10.1021\/acs.inorgchem.1c01613","article-title":"Photoinduced and Thermal Linkage Isomerizations of an Organometallic Ionic Liquid Containing a Half-Sandwich Ruthenium Thiocyanate Complex","volume":"60","author":"Mochida","year":"2021","journal-title":"Inorg. Chem."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"483","DOI":"10.1080\/00958972.2010.546398","article-title":"Isothiocyanate and Selenocyanate Complexes of Cu(II), Ni(II), and Co(II) with a Pyridylpyrazole-Based Ligand: Synthesis, Characterization, and Structure","volume":"64","author":"Mahendrasinh","year":"2011","journal-title":"J. Coord. Chem."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"5284","DOI":"10.1002\/chem.201103416","article-title":"Metamagnetism and Single-Chain Magnetic Behavior in a Homospin One-Dimensional Iron(II) Coordination Polymer","volume":"18","author":"Boeckmann","year":"2012","journal-title":"Chem. Eur. J."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"4526","DOI":"10.1021\/ic970397g","article-title":"(\u03bc-Oxo)Bis(\u03bc-Carboxylato)Bis(2,2\u2032-Bipyridyl)Bis(X)Diiron(III) Complexes, X = NCS\u2212, NCSe\u2212, and N3\u2212:\u2009 Synthetic Models of Pseudohalide Derivatives of Carboxylate-Bridged Diiron Proteins","volume":"36","author":"Mizoguchi","year":"1997","journal-title":"Inorg. Chem."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"2569","DOI":"10.1016\/j.poly.2008.05.013","article-title":"Mononuclear and Dinuclear Iron Thiocyanate and Selenocyanate Complexes of Tris-Pyrazolylmethane Ligands","volume":"27","author":"Kilner","year":"2008","journal-title":"Polyhedron"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"166","DOI":"10.1016\/j.ica.2014.01.018","article-title":"Synthesis, Crystal Structure, Solid State Electronic Spectra and Thermal Study of Three Cobalt(II)\u2013Selenocyanate Complexes: In Situ Room Temperature Transformation of 4,4\u2032-Dipyridyldisulfide to 4,4\u2032-Dipyridylsulfide","volume":"413","author":"Manna","year":"2014","journal-title":"Inorg. Chim. Acta"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"153062","DOI":"10.1016\/j.tetlet.2021.153062","article-title":"KSeCN as an Efficient Cyanide Source for the One-Step Synthesis of Imino-1-Oxoisoindolines via Copper-Promoted C\u2013H Activation","volume":"72","author":"Zhang","year":"2021","journal-title":"Tetrahedron Lett."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"1349","DOI":"10.1007\/BF01914359","article-title":"Thermal Properties of Thio-and Selenocyanatocopper(II) Complexes with Bipyridine and Phenanthroline","volume":"34","author":"Pirskij","year":"1988","journal-title":"J. Therm. Anal."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"884","DOI":"10.1248\/cpb.c19-00277","article-title":"Detection of Selenocyanate in Biological Samples by HPLC with Fluorescence Detection Using K\u00f6nig Reaction","volume":"67","author":"Mochizuki","year":"2019","journal-title":"Chem. Pharm. Bull."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"944","DOI":"10.1002\/chem.202004005","article-title":"Metal-Free Synthesis of Aryl Selenocyanates and Selenaheterocycles with Elemental Selenium","volume":"27","author":"Zhang","year":"2021","journal-title":"Chem. Eur. J."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"1346","DOI":"10.1002\/adsc.202001423","article-title":"Catalyst and Additive-Free Selective Ring-Opening Selenocyanation of Heterocycles with Elemental Selenium and TMSCN","volume":"363","author":"Lu","year":"2021","journal-title":"Adv. Synth. Catal."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"10174","DOI":"10.1002\/chem.201201040","article-title":"C-C Bond Formation in Diiron Complexes","volume":"18","author":"Mazzoni","year":"2012","journal-title":"Chem. Eur. J."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"2094","DOI":"10.1039\/D1SC05473B","article-title":"Combining Metal\u2013Metal Cooperativity, Metal\u2013Ligand Cooperativity and Chemical Non-Innocence in Diiron Carbonyl Complexes","volume":"13","author":"Lutz","year":"2022","journal-title":"Chem. Sci."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"10059","DOI":"10.1021\/jacs.0c01896","article-title":"Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen","volume":"142","author":"Arnett","year":"2020","journal-title":"J. Am. Chem. Soc."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"16052","DOI":"10.1002\/chem.201802694","article-title":"Diferrate [Fe2(CO)6(\u03bc-CO){\u03bc-P(Aryl)2}]\u2212 as Self-Assembling Iron\/Phosphor-Based Catalyst for the Hydrogen Evolution Reaction in Photocatalytic Proton Reduction-Spectroscopic Insights","volume":"24","author":"Fischer","year":"2018","journal-title":"Chem. Eur. J."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"6043","DOI":"10.1002\/chem.201806148","article-title":"Is Iron the New Ruthenium?","volume":"25","author":"Wenger","year":"2019","journal-title":"Chem. Eur. J."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"3964","DOI":"10.1002\/cssc.201701287","article-title":"Iron-Catalyzed C\u2212O Bond Activation: Opportunity for Sustainable Catalysis","volume":"10","author":"Bisz","year":"2017","journal-title":"ChemSusChem"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"3317","DOI":"10.1002\/anie.200800012","article-title":"Sustainable Metal Catalysis with Iron: From Rust to a Rising Star?","volume":"47","author":"Enthaler","year":"2008","journal-title":"Angew. Chem. Int. Ed."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"214203","DOI":"10.1016\/j.ccr.2021.214203","article-title":"Aminocarbyne Ligands in Organometallic Chemistry","volume":"449","author":"Biancalana","year":"2021","journal-title":"Coord. Chem. Rev."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"3987","DOI":"10.1002\/ejic.201800659","article-title":"Constructing Organometallic Architectures from Aminoalkylidyne Diiron Complexes","volume":"2018","author":"Marchetti","year":"2018","journal-title":"Eur. J. Inorg. Chem."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"1936","DOI":"10.1039\/D1DT03781A","article-title":"Cyanide\u2013Alkene Competition in a Diiron Complex and Isolation of a Multisite (Cyano)Alkylidene\u2013Alkene Species","volume":"51","author":"Bresciani","year":"2022","journal-title":"Dalton Trans."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"1204","DOI":"10.1016\/j.ica.2004.11.033","article-title":"Diiron and Diruthenium Aminocarbyne Complexes Containing Pseudohalides: Stereochemistry and Reactivity","volume":"358","author":"Busetto","year":"2005","journal-title":"Inorg. Chim. Acta"},{"key":"ref_40","doi-asserted-by":"crossref","unstructured":"Bresciani, G., Biancalana, L., Pampaloni, G., Zacchini, S., Ciancaleoni, G., and Marchetti, F. (2021). A Comprehensive Analysis of the Metal\u2013Nitrile Bonding in an Organo-Diiron System. Molecules, 26.","DOI":"10.3390\/molecules26237088"},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1016\/0010-8545(84)85067-5","article-title":"Trimethylamine N-Oxide a Versatile Reagent for Organometallic Chemistry","volume":"60","author":"Luh","year":"1984","journal-title":"Coord. Chem. Rev."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"15703","DOI":"10.1039\/D2DT02866B","article-title":"Alkyne\u2013Alkenyl Coupling at a Diruthenium Complex","volume":"51","author":"Bresciani","year":"2022","journal-title":"Dalton Trans."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"1006","DOI":"10.1021\/acs.organomet.2c00060","article-title":"Carbon\u2013Carbon Bond Coupling of Vinyl Molecules with an Allenyl Ligand at a Diruthenium Complex","volume":"41","author":"Bresciani","year":"2022","journal-title":"Organometallics"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"8390","DOI":"10.1039\/D2DT01071B","article-title":"\u03b76-Coordinated Ruthenabenzenes from Three-Component Assembly on a Diruthenium \u03bc-Allenyl Scaffold","volume":"51","author":"Bresciani","year":"2022","journal-title":"Dalton Trans."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"6760","DOI":"10.1002\/ange.201102028","article-title":"Snapshots of Complete Nitrogen Atom Transfer from an Iron(IV) Nitrido Complex","volume":"123","author":"Scepaniak","year":"2011","journal-title":"Angew. Chem."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"15797","DOI":"10.1002\/chem.201502530","article-title":"Reactivity of an All-Ferrous Iron\u2013Nitrogen Heterocubane under Reductive and Oxidative Conditions","volume":"21","author":"Lichtenberg","year":"2015","journal-title":"Chem. Eur. J."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"4108","DOI":"10.1039\/C7SC00570A","article-title":"Reactivity Studies on [Cp\u2032Fe(\u03bc-I)]2: Nitrido-, Sulfido- and Diselenide Iron Complexes Derived from Pseudohalide Activation","volume":"8","author":"Reiners","year":"2017","journal-title":"Chem. Sci."},{"key":"ref_48","doi-asserted-by":"crossref","unstructured":"Clough, C.R., M\u00fcller, P., and Cummins, C.C. (2008). 6-Coordinate Tungsten(VI) Tris-n-Isopropylanilide Complexes: Products of Terminal Oxo and Nitrido Transformations Effected by Main Group Electrophiles. Dalton Trans., 4458\u20134463.","DOI":"10.1039\/b801037d"},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"4343","DOI":"10.1016\/j.ica.2006.06.004","article-title":"Rhenium(IV) Cyanate Complexes: Synthesis, Crystal Structures and Magnetic Properties of NBu4[ReBr4(OCN)(DMF)] and (NBu4)2[ReBr(OCN)2(NCO)3]","volume":"359","author":"Armentano","year":"2006","journal-title":"Inorg. Chim. Acta"},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"10030","DOI":"10.1039\/C5DT01002K","article-title":"MoCl5 as an Effective Chlorinating Agent towards \u03b1-Amino Acids: Synthesis of \u03b1-Ammonium-Acylchloride Salts and \u03b1-Amino-Acylchloride Complexes","volume":"44","author":"Bortoluzzi","year":"2015","journal-title":"Dalton Trans."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"1483","DOI":"10.1016\/j.jorganchem.2011.01.011","article-title":"Assembly and Incorporation of a CO2Me Group into a Bridging Vinyliminium Ligand in a Diiron Complex","volume":"696","author":"Renili","year":"2011","journal-title":"J. Organomet. Chem."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"1799","DOI":"10.1002\/ejic.200601047","article-title":"Acetylide Addition to Bridging Vinyliminium Ligands in Dinuclear Complexes","volume":"2007","author":"Busetto","year":"2007","journal-title":"Eur. J. Inorg. Chem."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"3401","DOI":"10.1021\/acs.inorgchem.5b02789","article-title":"Preparation and Protonation of Fe2(Pdt)(CNR)6, Electron-Rich Analogues of Fe2(Pdt)(CO)6","volume":"55","author":"Zhou","year":"2016","journal-title":"Inorg. Chem."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"5586","DOI":"10.1002\/cssc.202001823","article-title":"Bypassing the Inertness of Aziridine\/CO2 Systems to Access 5-Aryl-2-Oxazolidinones: Catalyst-Free Synthesis Under Ambient Conditions","volume":"13","author":"Bresciani","year":"2020","journal-title":"ChemSusChem"},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"4340","DOI":"10.1039\/D0NJ05657J","article-title":"Synthesis of \u03b1-Alkylidene Cyclic Carbonates via CO2 Fixation under Ambient Conditions Promoted by an Easily Available Silver Carbamate","volume":"45","author":"Bresciani","year":"2021","journal-title":"New J. Chem."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"111667","DOI":"10.1016\/j.jinorgbio.2021.111667","article-title":"Screening the Biological Properties of Transition Metal Carbamates Reveals Gold(I) and Silver(I) Complexes as Potent Cytotoxic and Antimicrobial Agents","volume":"227","author":"Bresciani","year":"2022","journal-title":"J. Inorg. Biochem."},{"key":"ref_57","doi-asserted-by":"crossref","unstructured":"Gibson, V.C., Redshaw, C., Clegg, W., and Elsegood, M.R.J. (1994). Isocyanate versus Isothiocyanate Insertion into Alkoxo and Imido Ligands. J. Chem. Soc. Chem. Commun., 2635\u20132636.","DOI":"10.1039\/c39940002635"},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"16486","DOI":"10.1021\/jacs.9b08942","article-title":"Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles","volume":"141","author":"Bruffaerts","year":"2019","journal-title":"J. Am. Chem. Soc."},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/j.jorganchem.2013.06.044","article-title":"Organoantimony(III) and -Bismuth(III) Hypervalent Pseudohalides. An Experimental and Theoretical Study","volume":"745\u2013746","author":"Toma","year":"2013","journal-title":"J. Organomet. Chem."},{"key":"ref_60","doi-asserted-by":"crossref","unstructured":"Baker, M.V., Barnard, P.J., Brayshaw, S.K., Hickey, J.L., Skelton, B.W., and White, A.H. (2005). Synthetic, Structural and Spectroscopic Studies of (Pseudo)Halo(1,3-Di-Tert-Butylimidazol-2-Ylidine)Gold Complexes. Dalton Trans., 37\u201343.","DOI":"10.1039\/b412540a"},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/S0020-1693(03)00144-0","article-title":"Mono- and Dinuclear Gold(I) Thio- and Selenocyanate Complexes","volume":"352","author":"Schneider","year":"2003","journal-title":"Inorg. Chim. Acta"},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1016\/S0022-328X(99)00351-4","article-title":"The Synthesis and Crystal Structures of the First Examples of Six-Membered Inorganic Iridacycles Containing the [(Ph2PE)2N]\u2212 Ligand (E = S or Se)","volume":"588","author":"Parr","year":"1999","journal-title":"J. Organomet. Chem."},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"1262","DOI":"10.1016\/j.poly.2011.02.008","article-title":"Alkyldiamine Bis(Selenocyanato)Cadmium(II) Complexes: Synthesis, 113Cd, 77Se, 15N and 13C NMR Spectroscopy and X-Ray Structure of a 2D Metal\u2013Organic Framework","volume":"30","author":"Fettouhi","year":"2011","journal-title":"Polyhedron"},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"1550","DOI":"10.1002\/1521-3749(200007)626:7<1550::AID-ZAAC1550>3.0.CO;2-R","article-title":"Synthese und spektroskopische Charakterisierung von [Rh(SeCN)6]3\u2212 und trans-[Rh(CN)2(SeCN)4]3\u2212, Kristallstruktur von (Me4N)3[Rh(SeCN)6]","volume":"626","author":"Rohde","year":"2000","journal-title":"Z. Anorg. Allg. Chem."},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"L95","DOI":"10.1016\/S0020-1693(00)90966-6","article-title":"Selenium-77 Nuclear Magnetic Resonance Studies. 3. Chemical Shifts of Ionic, N- and Se-Coordinated Selenocyanate","volume":"44","author":"Pan","year":"1980","journal-title":"Inorg. Chim. Acta"},{"key":"ref_66","doi-asserted-by":"crossref","unstructured":"Nuzzo, S., Browne, M.P., Twamley, B., Lyons, M.E.G., and Baker, R.J. (2016). A Structural and Spectroscopic Study of the First Uranyl Selenocyanate, [Et4N]3[UO2(NCSe)5]. Inorganics, 4.","DOI":"10.3390\/inorganics4010004"},{"key":"ref_67","doi-asserted-by":"crossref","first-page":"2532","DOI":"10.1021\/ic50199a040","article-title":"Carbon-13 Nuclear Magnetic Resonance Study of Coordinated Thiocyanate, Selenocyanate, and Cyanate","volume":"18","author":"Kargol","year":"1979","journal-title":"Inorg. Chem."},{"key":"ref_68","doi-asserted-by":"crossref","first-page":"6589","DOI":"10.1021\/ja00801a012","article-title":"Pathway of Bridge-Terminal Ligand Exchange in Some Binuclear Metal Carbonyls. Bis(Pentahapto-Cyclopentadienyldicarbonyliron) and Its Di(Methyl Isocyanide) Derivative and Bis(Pentahapto-Cyclopentadienylcarbonylnitrosylmanganese)","volume":"95","author":"Adams","year":"1973","journal-title":"J. Am. Chem. Soc."},{"key":"ref_69","doi-asserted-by":"crossref","unstructured":"Farrugia, L.J. (1997). Dynamics and Fluxionality in Metal Carbonyl Clusters: Some Old and New Problems. J. Chem. Soc. Dalton Trans., 1783\u20131792.","DOI":"10.1039\/a608514h"},{"key":"ref_70","doi-asserted-by":"crossref","first-page":"e6990","DOI":"10.1002\/aoc.6990","article-title":"Diiron Bis-cyclopentadienyl Complexes as Transfer Hydrogenation Catalysts: The Key Role of the Bridging Aminocarbyne Ligand","volume":"37","author":"Bresciani","year":"2023","journal-title":"Appl. Organomet. Chem."},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"3639","DOI":"10.1002\/ejic.200300304","article-title":"Synthesis and Structural Characterization of Potassium Salts of Phosphane-Substituted (Cyclopentadienyl)Iron Dicyanides, and Their Use as Bridging Ligands for Copper(I) Phosphane Derivatives","volume":"2003","author":"Darensbourg","year":"2003","journal-title":"Eur. J. Inorg. Chem."},{"key":"ref_72","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1021\/om0208319","article-title":"C\u2013C Bond Cleavage of Acetonitrile by a Carbonyl Iron Complex with a Silyl Ligand","volume":"23","author":"Nakazawa","year":"2004","journal-title":"Organometallics"},{"key":"ref_73","doi-asserted-by":"crossref","first-page":"10103","DOI":"10.1021\/ja982053a","article-title":"Responses of the Fe(CN)2(CO) Unit to Electronic Changes as Related to Its Role in [NiFe]Hydrogenase","volume":"120","author":"Lai","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"ref_74","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/0022-328X(95)05810-C","article-title":"Preparation, Spectra and Structure of [Fe2(\u03b7-C5H5)2(L)(CN)(\u00b5-CO){\u00b5-CN(R\u2019) R}], [Fe2(\u03b7-C5H5)2(CO)(CN){\u00b5-CNMe2}2]+ and [Fe2(\u03b7-C5H5)2(CN)2(\u00b5-CNMe2}2] Zwitterions (L = CO or Organoisocyanide) and Their Reactions with Alkyl and Protic Electrophiles","volume":"509","author":"Boss","year":"1996","journal-title":"J. Organomet. Chem."},{"key":"ref_75","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/S0022-328X(00)00337-5","article-title":"Reactions of Acetonitrile Di-Iron \u03bc-Aminocarbyne Complexes; Synthesis and Structure of [Fe2(\u03bc-CNMe2)(\u03bc-H)(CO)2(Cp)2]","volume":"606","author":"Albano","year":"2000","journal-title":"J. Organomet. Chem."},{"key":"ref_76","doi-asserted-by":"crossref","first-page":"13852","DOI":"10.1021\/acs.inorgchem.7b01954","article-title":"Mechanistic Insight into Electrocatalytic H2 Production by [Fe2(CN){\u03bc-CN(Me)2}(\u03bc-CO)(CO)(Cp)2]: Effects of Dithiolate Replacement in [FeFe] Hydrogenase Models","volume":"56","author":"Arrigoni","year":"2017","journal-title":"Inorg. Chem."},{"key":"ref_77","doi-asserted-by":"crossref","first-page":"266","DOI":"10.1524\/zkri.2006.221.4.266","article-title":"The Structure of the Red-Brown Form of [Fe(\u03b75-C5H4Me)2(CO)(CN)(\u03bc-CO)(\u03bc-CNMe2)] and Its Confirmation as a Cis Isomer","volume":"221","author":"Boss","year":"2006","journal-title":"Z. Krist.-Cryst. Mater."},{"key":"ref_78","doi-asserted-by":"crossref","first-page":"10169","DOI":"10.1002\/chem.202101048","article-title":"Easily Available, Amphiphilic Diiron Cyclopentadienyl Complexes Exhibit in Vitro Anticancer Activity in 2D and 3D Human Cancer Cells through Redox Modulation Triggered by CO Release","volume":"27","author":"Biancalana","year":"2021","journal-title":"Chem. Eur. J."},{"key":"ref_79","doi-asserted-by":"crossref","first-page":"960","DOI":"10.1002\/ejic.201701115","article-title":"Regioselective Nucleophilic Additions to Diiron Carbonyl Complexes Containing a Bridging Aminocarbyne Ligand: A Synthetic, Crystallographic and DFT Study","volume":"2018","author":"Agonigi","year":"2018","journal-title":"Eur. J. Inorg. Chem."},{"key":"ref_80","unstructured":"Menges, F. (2022). Spectragryph-Optical Spectroscopy Software 1.2.15.0, COMODO."},{"key":"ref_81","doi-asserted-by":"crossref","first-page":"2176","DOI":"10.1021\/om100106e","article-title":"NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist","volume":"29","author":"Fulmer","year":"2010","journal-title":"Organometallics"},{"key":"ref_82","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1002\/mrc.1260310315","article-title":"Gradient Selection in Inverse Heteronuclear Correlation Spectroscopy","volume":"31","author":"Willker","year":"1993","journal-title":"Magn. Reson. Chem."},{"key":"ref_83","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053229614024218","article-title":"Crystal Structure Refinement with SHELXL","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Crystallogr. Sect. C Struct. Chem."},{"key":"ref_84","doi-asserted-by":"crossref","first-page":"054107","DOI":"10.1063\/1.4927476","article-title":"Consistent Structures and Interactions by Density Functional Theory with Small Atomic Orbital Basis Sets","volume":"143","author":"Grimme","year":"2015","journal-title":"J. Chem. Phys."},{"key":"ref_85","doi-asserted-by":"crossref","first-page":"3297","DOI":"10.1039\/b508541a","article-title":"Balanced Basis Sets of Split Valence, Triple Zeta Valence and Quadruple Zeta Valence Quality for H to Rn: Design and Assessment of Accuracy","volume":"7","author":"Weigend","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_86","doi-asserted-by":"crossref","first-page":"1057","DOI":"10.1039\/b515623h","article-title":"Accurate Coulomb-Fitting Basis Sets for H to Rn","volume":"8","author":"Weigend","year":"2006","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_87","doi-asserted-by":"crossref","first-page":"154101","DOI":"10.1063\/1.3700154","article-title":"A Geometrical Correction for the Inter- and Intra-Molecular Basis Set Superposition Error in Hartree-Fock and Density Functional Theory Calculations for Large Systems","volume":"136","author":"Kruse","year":"2012","journal-title":"J. Chem. Phys."},{"key":"ref_88","doi-asserted-by":"crossref","first-page":"1456","DOI":"10.1002\/jcc.21759","article-title":"Effect of the Damping Function in Dispersion Corrected Density Functional Theory","volume":"32","author":"Grimme","year":"2011","journal-title":"J. Comput. Chem."},{"key":"ref_89","doi-asserted-by":"crossref","first-page":"154104","DOI":"10.1063\/1.3382344","article-title":"A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"ref_90","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1002\/jcc.10189","article-title":"Energies, Structures, and Electronic Properties of Molecules in Solution with the C-PCM Solvation Model","volume":"24","author":"Cossi","year":"2003","journal-title":"J. Comput. Chem."},{"key":"ref_91","doi-asserted-by":"crossref","first-page":"1995","DOI":"10.1021\/jp9716997","article-title":"Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model","volume":"102","author":"Barone","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"ref_92","unstructured":"Cramer, C.J. (2004). Essentials of Computational Chemistry: Theories and Models, Wiley. [2nd ed.]."},{"key":"ref_93","doi-asserted-by":"crossref","first-page":"e1606","DOI":"10.1002\/wcms.1606","article-title":"Software Update: The ORCA Program System","volume":"12","author":"Neese","year":"2022","journal-title":"WIREs Comput. Mol. Sci."}],"container-title":["Molecules"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1420-3049\/28\/7\/3251\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T19:10:37Z","timestamp":1760123437000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1420-3049\/28\/7\/3251"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,4,5]]},"references-count":93,"journal-issue":{"issue":"7","published-online":{"date-parts":[[2023,4]]}},"alternative-id":["molecules28073251"],"URL":"https:\/\/doi.org\/10.3390\/molecules28073251","relation":{},"ISSN":["1420-3049"],"issn-type":[{"value":"1420-3049","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,4,5]]}}}