Reduction of CO 2 by a masked two-coordinate cobalt( i ) complex and characterization of a proposed oxodicobalt( ii ) intermediate

Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.

doi:10.1039/C8SC02599A

Title: Reduction of CO ₂ by a masked two-coordinate cobalt( i ) complex and characterization of a proposed oxodicobalt( ii ) intermediate

Journal Article · Wed Jan 16 00:00:00 EST 2019 · Chemical Science

DOI:https://doi.org/10.1039/C8SC02599A· OSTI ID:1481442

^[1]; Al-Afyouni, Malik H. ^[2]; DeRosha, Daniel E. ^[3];

^[4]; DiMucci, Ida M. ^[5];

^[5];

^[6]; Bill, Eckhard ^[4];

^[2]; Neese, Frank ^[7];

^[7];

^[3]

Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr, Germany, CSIR Central Mechanical Engineering Research Institute, Durgapur 713209
Department of Chemistry, University of Rochester, Rochester, USA
Department of Chemistry, Yale University, New Haven, USA
Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr, Germany
Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, USA
Department of Chemistry, Trinity University, San Antonio, USA
Max Planck Institute for Coal Research, Mülheim an der Ruhr, Germany

Fixation and chemical reduction of CO₂ are important for utilization of this abundant resource, and understanding the detailed mechanism of C–O cleavage is needed for rational development of CO₂ reduction methods. Here, we describe a detailed analysis of the mechanism of the reaction of a masked two-coordinate cobalt(I) complex, L^tBuCo (where L^tBu = 2,2,6,6-tetramethyl-3,5-bis[(2,6-diisopropylphenyl)imino]hept-4-yl), with CO₂, which yields two products of C–O cleavage, the cobalt(I) monocarbonyl complex L^tBuCo(CO) and the dicobalt(II) carbonate complex (L^tBuCo)₂(μ-CO₃). Kinetic studies and computations show that the κN,η⁶-arene isomer of L^tBuCo rearranges to the κ₂N,N' binding mode prior to binding of CO₂, which contrasts with the mechanism of binding of other substrates to L^tBuCo. Density functional theory (DFT) studies show that the only low-energy pathways for cleavage of CO₂ proceed through bimetallic mechanisms, and DFT and highly correlated domain-based local pair natural orbital coupled cluster (DLPNO-CCSD(T)) calculations reveal the cooperative effects of the two metal centers during facile C–O bond rupture. A plausible intermediate in the reaction of CO₂ with L^tBuCo is the oxodicobalt(II) complex L^tBuCoOCoL^tBu, which has been independently synthesized through the reaction of L^tBuCo with N₂O. The rapid reaction of L^tBuCoOCoL^tBu with CO₂ to form the carbonate product indicates that the oxo species is kinetically competent to be an intermediate during CO₂ cleavage by L^tBuCo. L^tBuCoOCoL^tBu is a novel example of a thoroughly characterized molecular cobalt–oxo complex where the cobalt ions are clearly in the +2 oxidation state. Its nucleophilic reactivity is a consequence of high charge localization on the μ-oxo ligand between two antiferromagnetically coupled high-spin cobalt(II) centers, as characterized by DFT and multireference complete active space self-consistent field (CASSCF) calculations.

View Journal Article

Cite

Export

Save

Research Organization:: Univ. of Rochester, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: FG02-09ER16089; SC0001834

OSTI ID:: 1481442

Alternate ID(s):: OSTI ID: 1610579

Journal Information:: Chemical Science, Journal Name: Chemical Science Vol. 10 Journal Issue: 3; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United Kingdom

Language:: English

Citation Metrics:

Cited by: 37 works

Citation information provided by
Web of Science

References (87)

Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO ₂ Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study Mondal, Bhaskar; Neese, Frank; Ye, Shengfa Inorganic Chemistry, Vol. 54, Issue 15 https://doi.org/10.1021/acs.inorgchem.5b00469	journal	July 2015
Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex Al-Afyouni, Malik H.; Suturina, Elizaveta; Pathak, Shubhrodeep Journal of the American Chemical Society, Vol. 137, Issue 33 https://doi.org/10.1021/jacs.5b06078	journal	August 2015
Reaction Mechanism of the Reverse Water–Gas Shift Reaction Using First-Row Middle Transition Metal Catalysts L′M (M = Fe, Mn, Co): A Computational Study Liu, Cong; Cundari, Thomas R.; Wilson, Angela K. Inorganic Chemistry, Vol. 50, Issue 18 https://doi.org/10.1021/ic200602v	journal	September 2011
One- and two-dimensional framework materials constructed from the mixed Mo/V tetra-capped Keggin structure clusters and M(en)2 (M=Ni, Cu) complexes groups Bu, Wei-Ming; Ye, Ling; Yang, Guo-Yu Inorganic Chemistry Communications, Vol. 4, Issue 1 https://doi.org/10.1016/S1387-7003(00)00179-9	journal	January 2001
Catalytic Degenerate and Nondegenerate Oxygen Atom Transfers Employing N2O and CO2 and a MII/MIV Cycle Mediated by Group 6 MIV Terminal Oxo Complexes Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y. Angewandte Chemie International Edition, Vol. 50, Issue 51 https://doi.org/10.1002/anie.201106074	journal	October 2011
Spectroscopy and electronic structures of mono- and binuclear high-valent non-heme iron–oxo systems Decker, Andrea; Clay, Michael D.; Solomon, Edward I. Journal of Inorganic Biochemistry, Vol. 100, Issue 4 https://doi.org/10.1016/j.jinorgbio.2006.01.013	journal	April 2006
Enhanced Catalytic Activity of Cobalt Porphyrin in CO ₂ Electroreduction upon Immobilization on Carbon Materials Hu, Xin-Ming; Rønne, Magnus H.; Pedersen, Steen U. Angewandte Chemie International Edition, Vol. 56, Issue 23 https://doi.org/10.1002/anie.201701104	journal	May 2017
Formation of a nickel carbon dioxide adduct and its transformation mediated by a Lewis acid Kim, Yeong-Eun; Kim, Jin; Lee, Yunho Chem. Commun., Vol. 50, Issue 78 https://doi.org/10.1039/C4CC04800H	journal	January 2014
Low-Coordinate Cobalt Fluoride Complexes: Synthesis, Reactions, and Production from C–F Activation Reactions Dugan, Thomas R.; Goldberg, Jonathan M.; Brennessel, William W. Organometallics, Vol. 31, Issue 4 https://doi.org/10.1021/om200991k	journal	November 2011
Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electrophilic and Nucleophilic Pathways Neu, Heather M.; Yang, Tzuhsiung; Baglia, Regina A. Journal of the American Chemical Society, Vol. 136, Issue 39 https://doi.org/10.1021/ja507177h	journal	September 2014
CO2 Fixation and Transformation by a Dinuclear Copper Cryptate under Acidic Conditions Chen, Jia-Mei; Wei, Wei; Feng, Xiao-Long Chemistry – An Asian Journal, Vol. 2, Issue 6 https://doi.org/10.1002/asia.200700042	journal	June 2007
Sterically Hindered [Tris(imidazolyl)phosphine]copper Complexes: Formation and Reactivity of a Peroxo-Dicopper(II) Adduct and Structure of a Dinuclear Carbonate-Bridged Complex Sorrell, Thomas N.; Allen, William E.; White, Peter S. Inorganic Chemistry, Vol. 34, Issue 4 https://doi.org/10.1021/ic00108a030	journal	February 1995
Ligand-Based Reduction of CO ₂ and Release of CO on Iron(II) Thammavongsy, Zachary; Seda, Takele; Zakharov, Lev N. Inorganic Chemistry, Vol. 51, Issue 17 https://doi.org/10.1021/ic3015404	journal	August 2012
[Me ₂ NN]Co(η ⁶ -toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes Dai, Xuliang; Kapoor, Pooja; Warren, Timothy H. Journal of the American Chemical Society, Vol. 126, Issue 15 https://doi.org/10.1021/ja036308i	journal	April 2004
Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster Bar-Nahum, Itsik; Gupta, Aalo K.; Huber, Stefan M. Journal of the American Chemical Society, Vol. 131, Issue 8 https://doi.org/10.1021/ja808917k	journal	March 2009
Highly Efficient and Selective Photocatalytic CO ₂ Reduction by Iron and Cobalt Quaterpyridine Complexes Guo, Zhenguo; Cheng, Siwei; Cometto, Claudio Journal of the American Chemical Society, Vol. 138, Issue 30 https://doi.org/10.1021/jacs.6b06002	journal	July 2016
Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co–O–Co Unit Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D. Journal of the American Chemical Society, Vol. 137, Issue 49 https://doi.org/10.1021/jacs.5b09827	journal	December 2015
Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state Ye, S.; Neese, F. Proceedings of the National Academy of Sciences, Vol. 108, Issue 4 https://doi.org/10.1073/pnas.1008411108	journal	January 2011
Activation of CO ₂ by a Heterobimetallic Zr/Co Complex Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M. Journal of the American Chemical Society, Vol. 133, Issue 37 https://doi.org/10.1021/ja2071847	journal	September 2011
Splitting Water with Cobalt Artero, Vincent; Chavarot-Kerlidou, Murielle; Fontecave, Marc Angewandte Chemie International Edition, Vol. 50, Issue 32 https://doi.org/10.1002/anie.201007987	journal	July 2011
Distinctive Reaction Pathways at Base Metals in High-Spin Organometallic Catalysts Holland, Patrick L. Accounts of Chemical Research, Vol. 48, Issue 6 https://doi.org/10.1021/acs.accounts.5b00036	journal	May 2015
Direct XANES Evidence for Charge Transfer in Co−CO ₂ Complexes Fujita, Etsuko; Furenlid, Lars R.; Renner, Mark W. Journal of the American Chemical Society, Vol. 119, Issue 19 https://doi.org/10.1021/ja970151a	journal	May 1997
Reactivity of High-Valent Iron–Oxo Species in Enzymes and Synthetic Reagents: A Tale of Many States Shaik, Sason; Hirao, Hajime; Kumar, Devesh Accounts of Chemical Research, Vol. 40, Issue 7 https://doi.org/10.1021/ar600042c	journal	July 2007
Valence bond description of antiferromagnetic coupling in transition metal dimers Noodleman, Louis The Journal of Chemical Physics, Vol. 74, Issue 10 https://doi.org/10.1063/1.440939	journal	May 1981
Secondary Coordination Sphere Interactions Facilitate the Insertion Step in an Iridium(III) CO ₂ Reduction Catalyst Schmeier, Timothy J.; Dobereiner, Graham E.; Crabtree, Robert H. Journal of the American Chemical Society, Vol. 133, Issue 24 https://doi.org/10.1021/ja2035514	journal	June 2011
CO ₂ Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO ₂ Reduction Wang, Wan-Hui; Himeda, Yuichiro; Muckerman, James T. Chemical Reviews, Vol. 115, Issue 23 https://doi.org/10.1021/acs.chemrev.5b00197	journal	August 2015
Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores Ye, Shengfa; Geng, Cai-Yun; Shaik, Sason Physical Chemistry Chemical Physics, Vol. 15, Issue 21 https://doi.org/10.1039/c3cp00080j	journal	January 2013
Carbonate Formation from CO ₂ via Oxo versus Oxalate Pathway: Theoretical Investigations into the Mechanism of Uranium-Mediated Carbonate Formation ^† Castro, Ludovic; Lam, Oanh P.; Bart, Suzanne C. Organometallics, Vol. 29, Issue 21 https://doi.org/10.1021/om100479r	journal	November 2010
The Mechanism of Homogeneous CO ₂ Reduction by Ni(cyclam): Product Selectivity, Concerted Proton–Electron Transfer and C–O Bond Cleavage Song, Jinshuai; Klein, Eric L.; Neese, Frank Inorganic Chemistry, Vol. 53, Issue 14 https://doi.org/10.1021/ic500829p	journal	June 2014
Theoretical bioinorganic chemistry: the electronic structure makes a difference Kirchner, Barbara; Wennmohs, Frank; Ye, Shengfa Current Opinion in Chemical Biology, Vol. 11, Issue 2 https://doi.org/10.1016/j.cbpa.2007.02.026	journal	April 2007
Spectroscopic and Quantum Chemical Characterization of the Electronic Structure and Bonding in a Non-Heme Fe ^IV O Complex Decker, Andrea; Rohde, Jan-Uwe; Que,, Lawrence Journal of the American Chemical Society, Vol. 126, Issue 17 https://doi.org/10.1021/ja0498033	journal	May 2004
Nonclassical Single-State Reactivity of an Oxo-Iron(IV) Complex Confined to Triplet Pathways Kupper, Claudia; Mondal, Bhaskar; Serrano-Plana, Joan Journal of the American Chemical Society, Vol. 139, Issue 26 https://doi.org/10.1021/jacs.7b03255	journal	June 2017
Generation of a Doubly Bridging CO ₂ Ligand and Deoxygenation of CO ₂ by an (NHC)Ni(0) Complex Lee, Chang Hoon; Laitar, David S.; Mueller, Peter Journal of the American Chemical Society, Vol. 129, Issue 45 https://doi.org/10.1021/ja075630g	journal	November 2007
Fully optimized contracted Gaussian basis sets for atoms Li to Kr Schäfer, Ansgar; Horn, Hans; Ahlrichs, Reinhart The Journal of Chemical Physics, Vol. 97, Issue 4 https://doi.org/10.1063/1.463096	journal	August 1992
A Masked Two-Coordinate Cobalt(I) Complex That Activates C–F Bonds Dugan, Thomas R.; Sun, Xianru; Rybak-Akimova, Elena V. Journal of the American Chemical Society, Vol. 133, Issue 32 https://doi.org/10.1021/ja2052914	journal	August 2011
Simultaneous Reduction of CO ₂ and Splitting of H ₂ O by a Single Immobilized Cobalt Phthalocyanine Electrocatalyst Morlanés, Natalia; Takanabe, Kazuhiro; Rodionov, Valentin ACS Catalysis, Vol. 6, Issue 5 https://doi.org/10.1021/acscatal.6b00543	journal	April 2016
Reduction of CO ₂ to CO Using Low-Coordinate Iron: Formation of a Four-Coordinate Iron Dicarbonyl Complex and a Bridging Carbonate Complex Sadique, Azwana R.; Brennessel, William W.; Holland, Patrick L. Inorganic Chemistry, Vol. 47, Issue 3 https://doi.org/10.1021/ic701914m	journal	February 2008
Quantum Mechanical Continuum Solvation Models Tomasi, Jacopo; Mennucci, Benedetta; Cammi, Roberto Chemical Reviews, Vol. 105, Issue 8 https://doi.org/10.1021/cr9904009	journal	August 2005
Electrochemical Reduction of CO₂ to CO Catalyzed by a Bimetallic Palladium Complex Raebiger, James W.; Turner, Jeffrey W.; Noll, Bruce C. Organometallics, Vol. 25, Issue 14, p. 3345-3351 https://doi.org/10.1021/om060228g	journal	July 2006
Electronic Structure and Reactivity of Three-Coordinate Iron Complexes Holland, Patrick L. Accounts of Chemical Research, Vol. 41, Issue 8 https://doi.org/10.1021/ar700267b	journal	August 2008
Toward Rational Design of 3d Transition Metal Catalysts for CO ₂ Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps Mondal, Bhaskar; Neese, Frank; Ye, Shengfa Inorganic Chemistry, Vol. 55, Issue 11 https://doi.org/10.1021/acs.inorgchem.6b00471	journal	May 2016
Characterization, Crystal Structure and Initial DNA Binding Mechanism Research of Multi-nuclear Homometallic Complexes of 4,5-Diazafluoren-9-one with Copper(II) and Cobalt(II) Zhang, Rong-Lan; Zhao, Jian-She; Xi, Xiao-Li Chinese Journal of Chemistry, Vol. 26, Issue 7 https://doi.org/10.1002/cjoc.200890223	journal	July 2008
A diketiminate-bound diiron complex with a bridging carbonate ligand Sadique, Azwana R.; Brennessel, William W.; Holland, Patrick L. Acta Crystallographica Section C Crystal Structure Communications, Vol. 65, Issue 5 https://doi.org/10.1107/S0108270109011275	journal	April 2009
Binding and Activation of N ₂ O at Transition-Metal Centers: Recent Mechanistic Insights Tolman, William B. Angewandte Chemie International Edition, Vol. 49, Issue 6 https://doi.org/10.1002/anie.200905364	journal	February 2010
Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO ₂ Reduction Chapovetsky, Alon; Welborn, Matthew; Luna, John M. ACS Central Science, Vol. 4, Issue 3 https://doi.org/10.1021/acscentsci.7b00607	journal	February 2018
Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate Das, Debasree; Pattanayak, Santanu; Singh, Kundan K. Chemical Communications, Vol. 52, Issue 79 https://doi.org/10.1039/C6CC05773J	journal	January 2016
Theoretical Studies on the Catalysis of the Reverse Water−Gas Shift Reaction Using First-Row Transition Metal β-Diketiminato Complexes Liu, Cong; Munjanja, Lloyd; Cundari, Thomas R. The Journal of Physical Chemistry A, Vol. 114, Issue 21 https://doi.org/10.1021/jp911616y	journal	June 2010
Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual Journal of the American Chemical Society, Vol. 137, Issue 40 https://doi.org/10.1021/jacs.5b08396	journal	September 2015
Mechanistic Studies on the Hydroxylation of Methane by Methane Monooxygenase Baik, Mu-Hyun; Newcomb, Martin; Friesner, Richard A. Chemical Reviews, Vol. 103, Issue 6 https://doi.org/10.1021/cr950244f	journal	June 2003
DFT investigation of C F bond activation by a low-coordinate cobalt(I) complex Jiang, Quan; Cundari, Thomas R. Computational and Theoretical Chemistry, Vol. 1105 https://doi.org/10.1016/j.comptc.2017.02.025	journal	April 2017
Structure and Valency of a Cobalt−Phosphate Water Oxidation Catalyst Determined by in Situ X-ray Spectroscopy Kanan, Matthew W.; Yano, Junko; Surendranath, Yogesh Journal of the American Chemical Society, Vol. 132, Issue 39 https://doi.org/10.1021/ja1023767	journal	October 2010
Density Functional Theory Study on the Mechanism of the Reductive Cleavage of CO ₂ by a Bis-β-Diketoiminatediiron Dinitrogen Complex Ariafard, Alireza; Brookes, Nigel J.; Stranger, Robert Inorganic Chemistry, Vol. 49, Issue 17 https://doi.org/10.1021/ic1005715	journal	September 2010
Fe(I)-Mediated Reductive Cleavage and Coupling of CO ₂ : An Fe ^II (μ-O,μ-CO)Fe ^II Core Lu, Connie C.; Saouma, Caroline T.; Day, Michael W. Journal of the American Chemical Society, Vol. 129, Issue 1 https://doi.org/10.1021/ja065524z	journal	January 2007
Tuning Reactivity and Mechanism in Oxidation Reactions by Mononuclear Nonheme Iron(IV)-Oxo Complexes Nam, Wonwoo; Lee, Yong-Min; Fukuzumi, Shunichi Accounts of Chemical Research, Vol. 47, Issue 4 https://doi.org/10.1021/ar400258p	journal	February 2014
Nonheme Fe ^IV O Complexes That Can Oxidize the C−H Bonds of Cyclohexane at Room Temperature Kaizer, József; Klinker, Eric J.; Oh, Na Young Journal of the American Chemical Society, Vol. 126, Issue 2 https://doi.org/10.1021/ja037288n	journal	January 2004
Proteins containing oxo-bridged dinuclear iron centers: a bioinorganic perspective Vincent, John B.; Olivier-Lilley, Gay L.; Averill, Bruce A. Chemical Reviews, Vol. 90, Issue 8 https://doi.org/10.1021/cr00106a004	journal	December 1990
Mechanisms for CO Production from CO ₂ Using Reduced Rhenium Tricarbonyl Catalysts Agarwal, Jay; Fujita, Etsuko; Schaefer, Henry F. Journal of the American Chemical Society, Vol. 134, Issue 11 https://doi.org/10.1021/ja2105834	journal	March 2012
Electrocatalytic Reduction of Carbon Dioxide by the Binuclear Copper Complex [Cu2(6-(diphenylphosphino-2,2'-bipyridyl)2(MeCN)2][PF6]2 Haines, Raymond J.; Wittrig, Rebecca E.; Kubiak, Clifford P. Inorganic Chemistry, Vol. 33, Issue 21 https://doi.org/10.1021/ic00099a024	journal	October 1994
Nickel(i)-mediated transformations of carbon dioxide in closed synthetic cycles: reductive cleavage and coupling of CO2 generating NiICO, NiIICO3 and NiIIC2O4NiII entities Horn, Bettina; Limberg, Christian; Herwig, Christian Chemical Communications, Vol. 49, Issue 93 https://doi.org/10.1039/c3cc45407j	journal	January 2013
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions Zhao, Yan; Truhlar, Donald G. The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101 https://doi.org/10.1063/1.2370993	journal	November 2006
Reactions of CO ₂ and CS ₂ with 1,2-Bis(di- tert -butylphosphino)ethane Complexes of Nickel(0) and Nickel(I) Anderson, John S.; Iluc, Vlad M.; Hillhouse, Gregory L. Inorganic Chemistry, Vol. 49, Issue 21 https://doi.org/10.1021/ic101652e	journal	November 2010
CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling Saouma, Caroline T.; Lu, Connie C.; Day, Michael W. Chemical Science, Vol. 4, Issue 10 https://doi.org/10.1039/c3sc51262b	journal	January 2013
Nitrous Oxide Activation by a Ruthenium Porphyrin Groves, John T.; Roman, J. Scott Journal of the American Chemical Society, Vol. 117, Issue 20 https://doi.org/10.1021/ja00125a025	journal	May 1995
Enhancement of C−H Oxidizing Ability in Co-O ₂ Complexes through an Isolated Heterobimetallic Oxo Intermediate DeRosha, Daniel E.; Mercado, Brandon Q.; Lukat-Rodgers, Gudrun Angewandte Chemie International Edition, Vol. 56, Issue 12 https://doi.org/10.1002/anie.201612010	journal	February 2017
Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel Holland, Patrick L.; Cundari, Thomas R.; Perez, Lanyn L. Journal of the American Chemical Society, Vol. 124, Issue 48 https://doi.org/10.1021/ja025583m	journal	December 2002
High-Valent Iron-Oxo and -Nitrido Complexes: Bonding and Reactivity Mondal, Bhaskar; Roy, Lisa; Neese, Frank Israel Journal of Chemistry, Vol. 56, Issue 9-10 https://doi.org/10.1002/ijch.201600028	journal	July 2016
Homogeneously Catalyzed Electroreduction of Carbon Dioxide—Methods, Mechanisms, and Catalysts Francke, Robert; Schille, Benjamin; Roemelt, Michael Chemical Reviews, Vol. 118, Issue 9 https://doi.org/10.1021/acs.chemrev.7b00459	journal	January 2018
Quantum chemical studies of C–H activation reactions by high-valent nonheme iron centers Ye, Shengfa; Neese, Frank Current Opinion in Chemical Biology, Vol. 13, Issue 1 https://doi.org/10.1016/j.cbpa.2009.02.007	journal	February 2009
Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO ₂ , CO, and H ⁺ Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L. Inorganic Chemistry, Vol. 53, Issue 24 https://doi.org/10.1021/ic5021725	journal	November 2014
A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO ₂ Reduction to CO in CH ₃ CN/H ₂ O Solution Ouyang, Ting; Huang, Hai-Hua; Wang, Jia-Wei Angewandte Chemie, Vol. 129, Issue 3 https://doi.org/10.1002/ange.201610607	journal	December 2016
Reversible Hydrogenation of Carbon Dioxide to Formic Acid and Methanol: Lewis Acid Enhancement of Base Metal Catalysts Bernskoetter, Wesley H.; Hazari, Nilay Accounts of Chemical Research, Vol. 50, Issue 4 https://doi.org/10.1021/acs.accounts.7b00039	journal	February 2017
Mechanistic and Kinetic Studies of Cobalt Macrocycles in a Photochemical CO2 Reduction System: Evidence of Co-CO2 Adducts as Intermediates Ogata, Tomoyuki; Yanagida, Shozo; Brunschwig, Bruce S. Journal of the American Chemical Society, Vol. 117, Issue 25 https://doi.org/10.1021/ja00130a009	journal	June 1995
Covalent Attachment of Catalyst Molecules to Conductive Diamond: CO ₂ Reduction Using “Smart” Electrodes Yao, Shu A.; Ruther, Rose E.; Zhang, Linghong Journal of the American Chemical Society, Vol. 134, Issue 38 https://doi.org/10.1021/ja304783j	journal	September 2012
Photocatalytic CO ₂ Reduction by Trigonal-Bipyramidal Cobalt(II) Polypyridyl Complexes: The Nature of Cobalt(I) and Cobalt(0) Complexes upon Their Reactions with CO ₂ , CO, or Proton Shimoda, Tomoe; Morishima, Takeshi; Kodama, Koichi Inorganic Chemistry, Vol. 57, Issue 9 https://doi.org/10.1021/acs.inorgchem.8b00433	journal	April 2018
Cobalt–phosphate oxygen-evolving compound Kanan, Matthew W.; Surendranath, Yogesh; Nocera, Daniel G. Chemical Society Reviews, Vol. 38, Issue 1, p. 109-114 https://doi.org/10.1039/B802885K	journal	January 2009
Reactivity comparison of high-valent iron(iv)-oxo complexes bearing N-tetramethylated cyclam ligands with different ring size Hong, Seungwoo; So, Hee; Yoon, Heejung Dalton Transactions, Vol. 42, Issue 22 https://doi.org/10.1039/c3dt50750e	journal	January 2013
Oxygen Activation by Co(II) and a Redox Non-Innocent Ligand: Spectroscopic Characterization of a Radical–Co(II)–Superoxide Complex with Divergent Catalytic Reactivity Corcos, Amanda R.; Villanueva, Omar; Walroth, Richard C. Journal of the American Chemical Society, Vol. 138, Issue 6 https://doi.org/10.1021/jacs.5b12643	journal	February 2016
Electrocatalytic reduction of carbon dioxide by using macrocycles of nickel and cobalt Fisher, Barbara J.; Eisenberg, Richard Journal of the American Chemical Society, Vol. 102, Issue 24, p. 7361-7363 https://doi.org/10.1021/ja00544a035	journal	September 1980
Development of Molecular Electrocatalysts for CO₂ Reduction and H₂ Production/Oxidation Rakowski Dubois, M.; Dubois, Daniel L. Accounts of Chemical Research, Vol. 42, Issue 12, p. 1974-1982 https://doi.org/10.1021/ar900110c	journal	December 2009
Electrocatalytic and homogeneous approaches to conversion of CO ₂ to liquid fuels Benson, Eric E.; Kubiak, Clifford P.; Sathrum, Aaron J. Chem. Soc. Rev., Vol. 38, Issue 1 https://doi.org/10.1039/B804323J	journal	January 2009
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr Schäfer, Ansgar; Huber, Christian; Ahlrichs, Reinhart The Journal of Chemical Physics, Vol. 100, Issue 8 https://doi.org/10.1063/1.467146	journal	April 1994
Synthesis, Structure, and Spectroscopy of an Oxodiiron(II) Complex Eckert, Nathan A.; Stoian, Sebastian; Smith, Jeremy M. Journal of the American Chemical Society, Vol. 127, Issue 26 https://doi.org/10.1021/ja0436704	journal	July 2005
Bioinspired Nonheme Iron Catalysts for C–H and C═C Bond Oxidation: Insights into the Nature of the Metal-Based Oxidants Oloo, Williamson N.; Que, Lawrence Accounts of Chemical Research, Vol. 48, Issue 9 https://doi.org/10.1021/acs.accounts.5b00053	journal	August 2015
Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO ₂ Fixation Appel, Aaron M.; Bercaw, John E.; Bocarsly, Andrew B. Chemical Reviews, Vol. 113, Issue 8 https://doi.org/10.1021/cr300463y	journal	June 2013
Electrons, Photons, Protons and Earth-Abundant Metal Complexes for Molecular Catalysis of CO ₂ Reduction Takeda, Hiroyuki; Cometto, Claudio; Ishitani, Osamu ACS Catalysis, Vol. 7, Issue 1 https://doi.org/10.1021/acscatal.6b02181	journal	November 2016
Inhibition of mitochondrial calcium ion transport by an oxo-bridged dinuclear ruthenium ammine complex Ying, Wen Long; Emerson, Jeffrey; Clarke, Michael J. Biochemistry, Vol. 30, Issue 20 https://doi.org/10.1021/bi00234a016	journal	May 1991
Formation of a Unique Zinc Carbamate by CO ₂ Fixation: Implications for the Reactivity of Tetra-Azamacrocycle Ligated Zn(II) Complexes Notni, Johannes; Schenk, Stephan; Görls, Helmar Inorganic Chemistry, Vol. 47, Issue 4 https://doi.org/10.1021/ic701899u	journal	February 2008

Similar Records

α-Amine Desaturation of d-Arginine by the Iron(II)- and 2-(Oxo)glutarate-Dependent l-Arginine 3-Hydroxylase, VioC

Journal Article · Mon Oct 15 00:00:00 EDT 2018 · Biochemistry · OSTI ID:1481442

Dunham, Noah P.; Mitchell, Andrew J.; Del Río Pantoja, José M.; +3 more

Redox chemistry and H-atom abstraction reactivity of a terminal zirconium( iv ) oxo compound mediated by an appended cobalt( i ) center

Journal Article · Wed Oct 14 00:00:00 EDT 2020 · Chemical Science · OSTI ID:1481442

Zhang, Hongtu; Hatzis, Gillian P.; Dickie, Diane A.; +2 more

Direct Transformation of SiH₄ to a Molecular L(H)₂Co=Si=Co(H)₂L Silicide Complex

Journal Article · Wed Jan 25 00:00:00 EST 2023 · Journal of the American Chemical Society · OSTI ID:1481442

Handford, Rex C.; Nguyen, Trisha T.; Teat, Simon J.; +2 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Chemistry

Title: Reduction of CO 2 by a masked two-coordinate cobalt( i ) complex and characterization of a proposed oxodicobalt( ii ) intermediate

Citation Formats

References (87)

Similar Records

Related Subjects

Title: Reduction of CO ₂ by a masked two-coordinate cobalt( i ) complex and characterization of a proposed oxodicobalt( ii ) intermediate