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The activation of carbon dioxide by first row transition metals (Sc–Zn)

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI:https://doi.org/10.1039/C8CP04231D· OSTI ID:1475221
 [1];  [2];  [3];  [1]
  1. Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033, Blindern, Oslo N-0135
  2. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos Constantinou, Athens 116 35, Greece
  3. Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MS K1-83, USA

The activation of CO 2 by chloride-tagged first-row transition metal anions [ClM] (M = Sc–Zn), was examined by mass spectrometry, quantum chemical calculations, and statistical analysis.

Sponsoring Organization:
USDOE
OSTI ID:
1475221
Alternate ID(s):
OSTI ID: 1525460
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 39 Vol. 20; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

References (57)

Selective Formic Acid Synthesis from Nanoscale Electrochemistry journal September 2010
Transformation of Carbon Dioxide with Homogeneous Transition-Metal Catalysts: A Molecular Solution to a Global Challenge? journal August 2011
Formation and Characterization of Gaseous Adducts of Carbon Dioxide to Magnesium, (CO2)MgX− (X=OH, Cl, Br) journal June 2012
Carboxylation of Methyl Acrylate by Carbon Dioxide Radical Anions in Gas-Phase Water Clusters journal July 2013
Spectroscopic Identification of a Bidentate Binding Motif in the Anionic Magnesium-CO 2 Complex ([ClMgCO 2 ] ) journal October 2014
C−C Bond Formation of Mg‐ and Zn‐Activated Carbon Dioxide journal February 2018
Potential energy surfaces of carbon dioxide journal February 1994
The Co+·CO2 electrostatic complex: Geometry and potential journal September 1994
The most abundant protein in the world journal November 1979
A systematic ab initio investigation of the open and ring structures of ozone journal August 1998
Progress in carbon dioxide separation and capture: A review journal January 2008
Efficient Fixation of Carbon Dioxide by Electrolysis — Facile Synthesis of Useful Carboxylic Acids — journal December 2006
Redox properties of charged and neutral iron chlorides FeClmn (m = 1–3; n = −1, 0, +1, and +2) journal September 1999
Solvent-enabled photodissociation of CO2- in water clusters journal June 2006
Enhancement of infrared activity by moving electrons through bonds – The case of CO2 anion and carboxylate journal September 2017
Probing the electronic structure of the nickel monohalides: Spectroscopy of the low-lying electronic states of NiBr and NiCl journal September 2011
Electrochemical conversion of carbon dioxide into renewable fuel chemicals – The role of nanomaterials and the commercialization journal June 2016
Structural Motifs of [Fe(CO 2 ) n ] Clusters ( n = 3–7) journal May 2017
Interaction of CO 2 with Atomic Manganese in the Presence of an Excess Negative Charge Probed by Infrared Spectroscopy of [Mn(CO 2 ) n ] Clusters journal October 2017
Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl Complexes journal August 2011
Photosynthesis and carbon dioxide fixation journal April 1987
Solvent-Driven Reductive Activation of Carbon Dioxide by Gold Anions journal November 2012
Infrared Photodissociation Spectroscopy of Mass-Selected Al + (CO 2 ) n and Al + (CO 2 ) n Ar Clusters journal September 2003
Photoelectron Imaging of Hydrated Carbon Dioxide Cluster Anions journal May 2005
Hydrated Magnesium Cations Mg + (H 2 O) n , n ≈ 20–60, Exhibit Chemistry of the Hydrated Electron in Reactions with O 2 and CO 2 journal September 2011
Reactivity of Hydrated Monovalent First Row Transition Metal Ions M + (H 2 O) n , M = V, Cr, Mn, Fe, Co, Ni, Cu, Zn, toward Molecular Oxygen, Nitrous Oxide, and Carbon Dioxide journal April 2012
Reactions of CH 3 SH and CH 3 SSCH 3 with Gas-Phase Hydrated Radical Anions (H 2 O) n •– , CO 2 •– (H 2 O) n , and O 2 •– (H 2 O) n journal April 2012
Solvent-Mediated Reduction of Carbon Dioxide in Anionic Complexes with Silver Atoms journal October 2013
Infrared Spectra and Structures of Anionic Complexes of Cobalt with Carbon Dioxide Ligands journal June 2014
Interaction of Nickel with Carbon Dioxide in [Ni(CO 2 ) n ] Clusters Studied by Infrared Spectroscopy journal September 2014
Structural Diversity of Copper–CO 2 Complexes: Infrared Spectra and Structures of [Cu(CO 2 ) n ] Clusters journal October 2014
Structures of [CoO(CO 2 ) n ] and [NiO(CO 2 ) n ] Clusters Studied by Infrared Spectroscopy journal January 2015
Reductions of Oxygen, Carbon Dioxide, and Acetonitrile by the Magnesium(II)/Magnesium(I) Couple in Aqueous Media: Theoretical Insights from a Nano-Sized Water Droplet journal March 2015
Low-Lying Electronic States and Dissociation Energies of the Monochlorides of Cr, Mn, Fe, Co, and Ni journal May 2008
First-Principles Investigation of the Early 3d Transition Metal Diatomic Chlorides and Their Ions, ScCl 0,± , TiCl 0,± , VCl 0,± , and CrCl 0,± journal June 2009
Utilisation of CO2 as a chemical feedstock: opportunities and challenges journal January 2007
The teraton challenge. A review of fixation and transformation of carbon dioxide journal January 2010
Charge transfer reactions between gas-phase hydrated electrons, molecular oxygen and carbon dioxide at temperatures of 80–300 K journal January 2016
Dissociation of Mg( ii ) and Zn( ii ) complexes of simple 2-oxocarboxylates – relationship to CO 2 fixation, and the Grignard and Barbier reactions journal January 2017
Transition-metal-catalyzed C–C bond formation through the fixation of carbon dioxide journal January 2011
Infrared spectroscopy to probe structure and growth dynamics in Fe+-(CO2)n clusters journal August 2002
Infrared photodissociation spectroscopy of V+(CO2)n and V+(CO2)nAr complexes journal June 2004
Growth dynamics and intracluster reactions in Ni+(CO2)n complexes via infrared spectroscopy journal December 2004
The infrared spectrum of Au−∙CO2 journal April 2005
Photodissociation of CO2− in water clusters via Renner-Teller and conical interactions journal April 2007
Electronic structure and bonding of the 3d transition metal borides, MB, M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations journal January 2008
First principles study of the electronic structure and bonding of Mn2 journal October 2008
Collisional ionization of Na, K, and Cs by CO2, COS, and CS2: Molecular electron affinities journal January 1975
Electron attachment to carbon dioxide clusters in a supersonic beam journal August 1977
Electron attachment to van der Waals polymers of carbon dioxide and nitrous oxide journal August 1978
Stable gas phase hydrates of the CO 2 anion journal November 1979
An intersection seam between the ground state of ozone and an excited state of like symmetry a) journal November 1990
Potential energy surfaces of ozone. I journal June 1991
Photodissociation spectroscopy of the Mg + –CO 2 complex and its isotopic analogs journal February 1993
The potential energy surfaces of the ground and excited states of carbon dioxide molecule journal November 2014
Infrared photodissociation spectroscopy of Si + (CO 2 ) n and Si + (CO 2 ) n Ar complexes — Evidence for unanticipated intracluster reactions journal June 2004
A Theoretical Challenge: Transition-Metal Compounds journal March 2009

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