Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Mechanistic aspects of CO2 reduction catalysis with manganese-based molecular catalysts

Journal Article · · Coordination Chemistry Reviews
 [1];  [1];  [2];  [2];  [2]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
  2. Univ. of Massachusetts, Boston, MA (United States). Dept. of Chemistry
+ Show Author Affiliations
One approach for the conversion of CO2 into fuels or fuel precursors is the proton-coupled reduction of CO2 to CO or formic acid, using transition metal complexes as catalysts in either electrocatalytic or photocatalytic processes. While a number of such molecular catalysts have been investigated over the years, many are based on expensive precious metals. However, a growing family of pre-catalysts based on the earth-abundant metal, manganese, originally with the generic formula, [Mn(α-diimine)(CO)3L]+/0, but now expanded to also include non-α-diimine ligands, has recently emerged as a promising, cheaper alternative to the heavily-investigated rhenium-based analogues. In this paper, we discuss the current mechanistic understanding of Mn-based CO2 reduction pre-catalysts, from the point of view of both computational modeling and experimental techniques. We also highlight the methods used to accurately determine catalytic figures of merit, such as overpotential and turnover frequency. In conclusion, we have summarized the major findings in both electrocatalytic and photocatalytic CO2 reduction driven by Mn-based catalysts, including exciting new developments involving immobilization of the molecular catalysts on solid supports or electrodes, and also their use in photoelectrochemical CO2 reduction where solar energy is used to overcome the demanding electrochemical overpotential.
Research Organization:
Brookhaven National Lab. (BNL), Upton, NY (United States); Univ. of Massachusetts, Boston, MA (United States)
Sponsoring Organization:
National Science Foundation (NSF) (United States); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
SC0012704
OSTI ID:
1460701
Alternate ID(s):
OSTI ID: 1564413
Report Number(s):
BNL--207838-2018-JAAM
Journal Information:
Coordination Chemistry Reviews, Journal Name: Coordination Chemistry Reviews Vol. 374; ISSN 0010-8545
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (179)

Characterization of Ru(bpy)2(CO)(COO) prepared by CO2 addition to Ru(bpy)2(CO) in acetonitrile journal January 2000
[Mn(bipyridyl)(CO)3Br]: An Abundant Metal Carbonyl Complex as Efficient Electrocatalyst for CO2 Reduction journal September 2011
Pulsed-EPR Evidence of a Manganese(II) Hydroxycarbonyl Intermediate in the Electrocatalytic Reduction of Carbon Dioxide by a Manganese Bipyridyl Derivative journal November 2013
De Novo 3D Structure Determination from Sub-milligram Protein Samples by Solid-State 100 kHz MAS NMR Spectroscopy journal September 2014
Electrocatalytic and Solar-Driven CO 2 Reduction to CO with a Molecular Manganese Catalyst Immobilized on Mesoporous TiO 2 journal April 2016
A Highly Active N-Heterocyclic Carbene Manganese(I) Complex for Selective Electrocatalytic CO 2 Reduction to CO journal March 2018
CO2-Aktivierung an Übergangsmetallzentren: Simulation enzymatischer CO2-Fixierungs- und Transferreaktionen durch elektronenreiche (Diazadien)magnesium- und -mangan-Komplexe journal July 1992
Development of Novel Catalysts for Fischer-Tropsch Synthesis: Tuning the Product Selectivity journal July 2010
Local Proton Source in Electrocatalytic CO 2 Reduction with [Mn(bpy-R)(CO) 3 Br] Complexes journal February 2017
Electrochemical CO 2 Reduction at Glassy Carbon Electrodes Functionalized by Mn I and Re I Organometallic Complexes journal August 2017
Application of Pulse Radiolysis to Mechanistic Investigations of Catalysis Relevant to Artificial Photosynthesis journal October 2017
Synthesis and Assessment of CO-Release Capacity of Manganese Carbonyl Complexes Derived from Rigid α-Diimine ­Ligands of Varied Complexity: Synthesis and CO-Release Capacity of Mn Carbonyl Complexes journal September 2015
Carbonyl-Terpyridyl-Manganese Complexes: Syntheses, Crystal Structures, and Photo-Activated Carbon Monoxide Release Properties: Carbonyl-Terpyridyl-Manganese Complexes journal November 2015
Photochemical and Electrochemical Reduction of Carbon Dioxide to Carbon Monoxide Mediated by (2,2?-Bipyridine)tricarbonylchlororhenium(I) and Related Complexes as Homogeneous Catalysts journal December 1986
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model journal April 2003
Acidities of strong neutral Brønsted acids in different media: ACIDITIES OF STRONG NEUTRAL BRØNSTED ACIDS journal May 2012
Role of an electron-transfer chain reaction in the unusual photochemical formation of five-coordinated anions [Mn(CO)3(α-diimine)]− from fac-[Mn(X)(CO)3(α-diimine)] (X = halide) at low temperatures journal January 1995
Cationic tri- and dicarbonyl complexes of manganese(I) journal March 1977
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals journal July 2007
Sustainable energy: a review of formic acid electrochemical fuel cells journal April 2011
Epr evidence for related electronic structures of α-diimine complexes with [Ru(bpy)2]2+ and re(CO)3(halide) fragments journal August 1987
Ru(II) polypyridine complexes: photophysics, photochemistry, eletrochemistry, and chemiluminescence journal March 1988
The coordination chemistry of carbon dioxide and its relevance for catalysis: a critical survey journal August 1996
Potential-sweep chronoamperometry: Kinetic currents for first-order chemical reaction parallel to electron-transfer process (catalytic currents) journal September 1965
Solubility and electrochemical determination of CO2 in some dipolar aprotic solvents journal August 1990
Recent Studies of Rhenium and Manganese Bipyridine Carbonyl Catalysts for the Electrochemical Reduction of CO2 book January 2014
Kinetics of theF + NO2 + M → FNO2 + M reaction studied by pulse radiolysis combined with time-resolved IR and UV spectroscopy journal April 1996
Excited states of transition metal complexes studied by time-resolved infrared spectroscopy journal October 1998
Mechanisms of ultrafast metal–ligand bond splitting upon MLCT excitation of carbonyl-diimine complexes journal October 2000
Zur kenntnis der chemie der metallcarbonyle und der cyanokomplexe in flüssigem ammoniak journal October 1978
Time resolved infrared spectroscopy as a technique to study reactive organometallic intermediates journal March 1998
Geometrical and electronic structures of the acetyl complex Re(bpy)(CO)3(COCH3) and of [M(bpy)(CO)4](OTf), M=Mn,Re journal March 2000
Real-time Fourier transform IR (FTIR) spectroscopy in organometallic chemistry: mechanistic aspects of the fac to mer photoisomerization of fac-[Mn(Br)(CO)3(R-DAB)] journal March 1997
Visible light driven reduction of CO 2 catalyzed by an abundant manganese catalyst with zinc porphyrin photosensitizer journal July 2016
Application of transient infrared and near infrared spectroscopy to transition metal complex excited states and intermediates journal February 2007
Development of efficient photocatalytic systems for CO2 reduction using mononuclear and multinuclear metal complexes based on mechanistic studies journal February 2010
Toward more efficient photochemical CO2 reduction: Use of scCO2 or photogenerated hydrides journal November 2010
Advances in molecular photocatalytic and electrocatalytic CO2 reduction journal November 2012
Carbon dioxide reduction with homogenous early transition metal complexes: Opportunities and challenges for developing CO 2 catalysis journal April 2017
Electro and photoreduction of CO 2 driven by manganese-carbonyl molecular catalysts journal April 2018
Manganese carbonyl complexes for CO 2 reduction journal June 2018
Sacrificial electron donor reagents for solar fuel production journal March 2017
Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH journal June 2017
Improving the determination of moisture in edible oils by FTIR spectroscopy using acetonitrile extraction journal November 2012
Substantial improvement in the efficiency and durability of a photocatalyst for carbon dioxide reduction using a benzoimidazole derivative as an electron donor journal August 2013
Natural gas to synthesis gas – Catalysts and catalytic processes journal May 2011
Carbon monoxide-releasing properties and DFT/TDDFT analysis of [Mn(CO) 3 (bpy)L]PF 6 type novel manganese complexes journal August 2016
Photocatalytic reduction of CO2 using metal complexes journal December 2015
Recent advances in direct formic acid fuel cells (DFAFC) journal July 2008
Conversion of the greenhouse gas CO2 to the fuel gas CO via the Boudouard reaction: A review journal January 2015
Methods to study protein folding by stopped-flow FT-IR journal September 2004
Theory of Stationary Electrode Polarography. Single Scan and Cyclic Methods Applied to Reversible, Irreversible, and Kinetic Systems. journal April 1964
Current Issues in Molecular Catalysis Illustrated by Iron Porphyrins as Catalysts of the CO 2 -to-CO Electrochemical Conversion journal November 2015
Homogeneously Catalyzed Electroreduction of Carbon Dioxide—Methods, Mechanisms, and Catalysts journal January 2018
Design of a Catalytic Active Site for Electrochemical CO 2 Reduction with Mn(I)-Tricarbonyl Species journal May 2015
Carbon Dioxide Promoted H + Reduction Using a Bis(imino)pyridine Manganese Electrocatalyst journal April 2015
Photocatalytic CO 2 Reduction to Formate Using a Mn(I) Molecular Catalyst in a Robust Metal–Organic Framework journal July 2015
Electrocatalytic Reduction of Carbon Dioxide by Mn(CN)(2,2′-bipyridine)(CO) 3 : CN Coordination Alters Mechanism journal August 2015
Photocatalytic Reduction of Carbon Dioxide to CO and HCO 2 H Using fac -Mn(CN)(bpy)(CO) 3 journal March 2016
Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO 2 Reduction journal November 2016
Mn-NHC Electrocatalysts: Increasing π Acidity Lowers the Reduction Potential and Increases the Turnover Frequency for CO 2 Reduction journal September 2016
Electrochemical Properties and CO 2 -Reduction Ability of m -Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes journal November 2016
Electrochemical Reduction of CO 2 Catalyzed by Re(pyridine-oxazoline)(CO) 3 Cl Complexes journal March 2017
Ancillary Ligand Effects upon the Photochemistry of Mn(bpy)(CO) 3 X Complexes (X = Br – , PhCC – ) journal September 2017
Twisting and Tilting 1,1′-Bis(dialkylphosphino)ferrocene Bound to Low Valent Tricarbonylmaganese(I to −I) journal November 2017
Identification of Ion-Pair Structures in Solution by Vibrational Stark Effects journal February 2016
N-Heterocylic Carbene-Based Mn Electrocatalyst for Two-Electron CO 2 Reduction over Proton Reduction journal April 2016
CO 2 Reduction Pathways on MnBr(N-C)(CO) 3 Electrocatalysts journal January 2018
Thermodynamic Aspects of Electrocatalytic CO 2 Reduction in Acetonitrile and with an Ionic Liquid as Solvent or Electrolyte journal October 2015
Selective Catalytic Electroreduction of CO 2 at Silicon Nanowires (SiNWs) Photocathodes Using Non-Noble Metal-Based Manganese Carbonyl Bipyridyl Molecular Catalysts in Solution and Grafted onto SiNWs journal September 2015
Mechanism of Photocatalytic Reduction of CO 2 by Re(bpy)(CO) 3 Cl from Differences in Carbon Isotope Discrimination journal July 2016
Electrons, Photons, Protons and Earth-Abundant Metal Complexes for Molecular Catalysis of CO 2 Reduction journal November 2016
Supramolecular Photocatalysts for the Reduction of CO 2 journal April 2017
Low-Energy Electrocatalytic CO 2 Reduction in Water over Mn-Complex Catalyst Electrode Aided by a Nanocarbon Support and K + Cations journal April 2018
Standard Electrode Potentials for the Reduction of CO 2 to CO in Acetonitrile–Water Mixtures Determined Using a Generalized Method for Proton-Coupled Electron-Transfer Reactions journal August 2017
Equilibrium acidities in dimethyl sulfoxide solution journal December 1988
Electron-Transfer Acceleration Investigated by Time Resolved Infrared Spectroscopy journal February 2015
Molecular Approaches to the Photocatalytic Reduction of Carbon Dioxide for Solar Fuels journal December 2009
Catalysis Research of Relevance to Carbon Management:  Progress, Challenges, and Opportunities journal April 2001
Homogeneous Hydrogenation of Carbon Dioxide journal March 1995
Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO 2 Fixation journal June 2013
Time-Resolved Vibrational Spectroscopy of Electronically Excited Inorganic Complexes in Solution journal June 1998
Determining the Overpotential for a Molecular Electrocatalyst journal December 2013
Influence of Weak Brønsted Acids on Electrocatalytic CO 2 Reduction by Manganese and Rhenium Bipyridine Catalysts journal January 2015
A Mn Bipyrimidine Catalyst Predicted To Reduce CO 2 at Lower Overpotential journal March 2015
Electrocatalytic Reduction of Carbon Dioxide by the Binuclear Copper Complex [Cu2(6-(diphenylphosphino-2,2'-bipyridyl)2(MeCN)2][PF6]2 journal October 1994
X-ray Structure of fac-IMn(CO)3(bpy) and Electronic Structures and Transitions of the Complexes fac-XMn(CO)3(bpy) (X = Cl, I) and mer-ClMn(CO)3(bpy) journal March 1995
Why Is Re−Re Bond Formation/Cleavage in [Re(bpy)(CO) 3 ] 2 Different from That in [Re(CO) 5 ] 2 ? Experimental and Theoretical Studies on the Dimers and Fragments journal November 2004
Re(bipy-tBu)(CO) 3 Cl−improved Catalytic Activity for Reduction of Carbon Dioxide: IR-Spectroelectrochemical and Mechanistic Studies journal October 2010
Effect of Water during the Quantitation of Formate in Photocatalytic Studies on CO 2 Reduction in Dimethylformamide journal January 2012
Mechanistic Details for Cobalt Catalyzed Photochemical Hydrogen Production in Aqueous Solution: Efficiencies of the Photochemical and Non-Photochemical Steps journal April 2013
Manganese as a Substitute for Rhenium in CO 2 Reduction Catalysts: The Importance of Acids journal February 2013
Thermal and Photochemical Reactivity of Manganese Tricarbonyl and Tetracarbonyl Complexes with a Bulky Diazabutadiene Ligand journal March 2014
Exploring the Noninnocent Character of Electron Rich π-Extended 8-Oxyquinolate Ligands in Ruthenium(II) Bipyridyl Complexes journal May 2014
Evaluation of Homogeneous Electrocatalysts by Cyclic Voltammetry journal September 2014
Photocatalytic CO 2 Reduction to Formic Acid Using a Ru(II)–Re(I) Supramolecular Complex in an Aqueous Solution journal January 2015
Reduction potentials of CO2- and the alcohol radicals journal January 1989
Mechanisms for CO Production from CO 2 Using Reduced Rhenium Tricarbonyl Catalysts journal March 2012
Elucidation of the Selectivity of Proton-Dependent Electrocatalytic CO 2 Reduction by fac -Re(bpy)(CO) 3 Cl journal October 2013
Mechanism of the Formation of a Mn-Based CO 2 Reduction Catalyst Revealed by Pulse Radiolysis with Time-Resolved Infrared Detection journal April 2014
Manganese Catalysts with Bulky Bipyridine Ligands for the Electrocatalytic Reduction of Carbon Dioxide: Eliminating Dimerization and Altering Catalysis journal February 2014
Mechanistic Contrasts between Manganese and Rhenium Bipyridine Electrocatalysts for the Reduction of Carbon Dioxide journal November 2014
Benchmarking of Homogeneous Electrocatalysts: Overpotential, Turnover Frequency, Limiting Turnover Number journal April 2015
Manganese Electrocatalysts with Bulky Bipyridine Ligands: Utilizing Lewis Acids To Promote Carbon Dioxide Reduction at Low Overpotentials journal January 2016
Turning on the Protonation-First Pathway for Electrocatalytic CO 2 Reduction by Manganese Bipyridyl Tricarbonyl Complexes journal February 2017
Powering a CO 2 Reduction Catalyst with Visible Light through Multiple Sub-picosecond Electron Transfers from a Quantum Dot journal June 2017
Tuning Product Selectivity for Aqueous CO 2 Reduction with a Mn(bipyridine)-pyrene Catalyst Immobilized on a Carbon Nanotube Electrode journal October 2017
The Role of Electrode–Catalyst Interactions in Enabling Efficient CO 2 Reduction with Mo(bpy)(CO) 4 As Revealed by Vibrational Sum-Frequency Generation Spectroscopy journal September 2017
Acidities and hydrogen bonding of phenols in dimethyl sulfoxide journal April 1984
Acidities of water and simple alcohols in dimethyl sulfoxide solution journal August 1980
Defining Electronic Excited States Using Time-Resolved Infrared Spectroscopy and Density Functional Theory Calculations † journal April 2004
Photochemical Generation of Strong One-Electron Reductants via Light-Induced Electron Transfer with Reversible Donors Followed by Cross Reaction with Sacrificial Donors journal June 2014
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396 https://doi.org/10.1021/jp810292n
journal May 2009
New Model for Calculation of Solvation Free Energies:  Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects journal January 1996
Metal-to-Ligand Charge Transfer (MLCT) Photochemistry of fac- Mn(Cl)(CO) 3 (H-DAB):  A Density Functional Study journal January 1996
Catalysis of the Electrochemical Reduction of Carbon Dioxide by Iron(0) Porphyrins. Synergistic Effect of Lewis Acid Cations journal January 1996
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model journal March 1998
New Directions for the Photocatalytic Reduction of CO 2 : Supramolecular, scCO 2 or Biphasic Ionic Liquid−scCO 2 Systems journal September 2010
Spectroelectrochemical (IR, UV/Vis) Determination of the Reduction Pathways for a Series of [Re(CO)3(.alpha.-diimine)L']0/+ (L' = Halide, OTf-, THF, MeCN, n-PrCN, PPh3, P(OMe)3) Complexes journal March 1995
The Remarkable Photochemistry of fac-XMn(CO)3(.alpha.-diimine) (X =Halide): Formation of Mn2(CO)6(.alpha.-diimine)2 via the mer Isomer and Photocatalytic Substitution of X- in the Presence of PR3 journal July 1994
Developing a Mechanistic Understanding of Molecular Electrocatalysts for CO 2 Reduction using Infrared Spectroelectrochemistry journal April 2014
Electrocatalytic Reduction of Carbon Dioxide with a Manganese(I) Tricarbonyl Complex Containing a Nonaromatic α-Diimine Ligand journal May 2014
Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO) 3 Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO 2 Reduction journal December 2014
Experimental and Theoretical Investigation into the Formation and Reactivity of M(Cp)(CO) 2 (CO 2 ) (M = Mn or Re) in Liquid and Supercritical CO 2 and the Effect of Different CO 2 Coordination Modes on Reaction Rates with CO, H 2 , and N 2 journal May 2009
Electrocatalytic Reduction of CO2 Using the Complexes [Re(bpy)(CO)3L]n (n = +1, L = P(OEt)3, CH3CN; n = 0, L = Cl-, Otf-; bpy = 2,2‘-Bipyridine; Otf- = CF3SO3) as Catalyst Precursors:  Infrared Spectroelectrochemical Investigation journal July 1996
Electrochemical and IR/UV−Vis Spectroelectrochemical Studies of fac -[Mn(X)(CO) 3 (iPr-DAB)] n ( n = 0, X = Br, Me, Bz; n = +1, X = THF, MeCN, nPrCN, P(OMe) 3 ; iPr-DAB = 1,4-Diisopropyl-1,4-diaza-1,3-butadiene) at Variable Temperatures:  Relation between Electrochemical and Photochemical Generation of [Mn(CO) 3 (α-diimine)] - journal October 1997
Infra-Red Spectra of Free Radicals journal April 1958
Electrocatalytic and homogeneous approaches to conversion of CO 2 to liquid fuels journal January 2009
The teraton challenge. A review of fixation and transformation of carbon dioxide journal January 2010
Catalysis of the electrochemical reduction of carbon dioxide journal January 2013
Efficient photochemical reduction of CO 2 to CO by visible light irradiation of systems containing Re(bipy)(CO) 3 X or Ru(bipy) 3 2+ –Co 2+ combinations as homogeneous catalysts journal January 1983
Electrocatalytic reduction of carbon dioxide mediated by Re(bipy)(CO) 3 Cl (bipy = 2,2′-bipyridine) journal January 1984
One- and two-electron pathways in the electrocatalytic reduction of CO 2 by fac-Re(bpy)(CO) 3 Cl (bpy = 2,2′-bipyridine) journal January 1985
Photocatalytic CO 2 reduction using a Mn complex as a catalyst journal January 2014
A review of catalysts for the electroreduction of carbon dioxide to produce low-carbon fuels journal January 2014
A local proton source in a [Mn(bpy-R)(CO) 3 Br]-type redox catalyst enables CO 2 reduction even in the absence of Brønsted acids journal January 2014
Electrocatalytic CO 2 reduction with a membrane supported manganese catalyst in aqueous solution journal January 2014
A photoCORM nanocarrier for CO release using NIR light journal January 2015
Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N–C)(CO) 3 ] complexes journal January 2015
Turning it off! Disfavouring hydrogen evolution to enhance selectivity for CO production during homogeneous CO 2 reduction by cobalt–terpyridine complexes journal January 2015
A robust and efficient cobalt molecular catalyst for CO 2 reduction journal January 2015
Molecular polypyridine-based metal complexes as catalysts for the reduction of CO 2 journal January 2017
Improving the efficiency of electrochemical CO 2 reduction using immobilized manganese complexes journal January 2015
Highly efficient visible-light-driven CO 2 reduction to CO using a Ru( ii )–Re( i ) supramolecular photocatalyst in an aqueous solution journal January 2016
Electrocatalytic reduction of CO 2 using Mn complexes with unconventional coordination environments journal January 2016
Metal-complex chromophores for solar hydrogen generation journal January 2017
Interrogating heterobimetallic co-catalytic responses for the electrocatalytic reduction of CO 2 using supramolecular assembly journal January 2016
Electrocatalytic reduction of carbon dioxide with Mn(terpyridine) carbonyl complexes journal January 2016
Photo-driven electron transfer from the highly reducing excited state of naphthalene diimide radical anion to a CO 2 reduction catalyst within a molecular triad journal January 2017
Photoinduced electron transfer from rylenediimide radical anions and dianions to Re(bpy)(CO) 3 using red and near-infrared light journal January 2017
Directing the mechanism of CO 2 reduction by a Mn catalyst through surface immobilization journal January 2018
Chelated [Zn(cyclam)] 2+ Lewis acid improves the reactivity of the electrochemical reduction of CO 2 by Mn catalysts with bulky bipyridine ligands journal January 2017
The CO release properties of κ 2 N 1 ,N 2 Mn( i ) tricarbonyl photoCORMs with tridentate benzimidazole coligands journal January 2017
Site-isolated manganese carbonyl on bipyridine-functionalities of periodic mesoporous organosilicas: efficient CO 2 photoreduction and detection of key reaction intermediates journal January 2017
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient journal January 1993
EPR study of paramagnetic rhenium(I) complexes (bpy>>·>>−>>)Re(CO)3X relevant to the mechanism of electrocatalytic CO2 reduction † journal January 1997
Early photochemical dynamics of organometallic compounds studied by ultrafast time-resolved spectroscopic techniquesBased on the presentation given at Dalton Discussion No. 4, 10–13th January 2002, Kloster Banz, Germany. journal January 2002
Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2 journal January 2012
Direct observation of the reduction of carbon dioxide by rhenium bipyridine catalysts journal January 2013
Electron spin resonance studies of organometallic manganese(0) radicals spin trapped by 9,10-phenanthroquinone and its derivatives journal January 1988
An in situ infrared study of CO2 reduction catalysed by rhenium tricarbonyl bipyridyl derivatives journal January 1992
291. Carbonyl halides of manganese and some related compounds journal January 1959
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals journal December 2011
Gas phase infrared spectra of ammoniated ammonium ions journal January 1980
Density‐functional thermochemistry. III. The role of exact exchange journal April 1993
An efficient and near linear scaling pair natural orbital based local coupled cluster method journal January 2013
Natural triple excitations in local coupled cluster calculations with pair natural orbitals journal October 2013
Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility journal April 2015
Photocatalytic CO2 reduction with high turnover frequency and selectivity of formic acid formation using Ru(II) multinuclear complexes journal August 2012
Kinetic and structural studies, origins of selectivity, and interfacial charge transfer in the artificial photosynthesis of CO journal May 2012
Photochemistry of framework-supported M(diimine)(CO) 3 X complexes in three-dimensional lithium carboxylate metal–organic frameworks: monitoring the effect of framework cations
  • Reade, Thomas J.; Murphy, Thomas S.; Calladine, James A.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 375, Issue 2084 https://doi.org/10.1098/rsta.2016.0033
journal January 2017
Density-functional exchange-energy approximation with correct asymptotic behavior journal September 1988
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density journal January 1988
A Local Proton Source Enhances CO 2 Electroreduction to CO by a Molecular Fe Catalyst journal October 2012
Reflectance infrared and UV–visible spectroelectrochemical studies on a series of [Ni 3 (µ 3 -L)(µ 3 -I)(µ 2 -dppm) 3 ][PF 6 ] (L = CO; CNR, R = alkyl, aryl; dppm = Ph 2 PCH 2 PPh 2 ) clusters journal December 1996
Reductive Addition of  CO 2 to 9,10‐Phenanthrenequinone journal April 1989
Application of External-Cavity Quantum Cascade Infrared Lasers to Nanosecond Time-Resolved Infrared Spectroscopy of Condensed-Phase Samples following Pulse Radiolysis journal June 2010
Competitiveness of Formic Acid Fuel Cells: In Comparison with Methanol [포름산 연료전지의 경쟁력] journal April 2016

Cited By (17)

CO2 electrochemical catalytic reduction with a highly active cobalt phthalocyanine journal August 2019
An Investigation of Electrocatalytic CO2 Reduction Using a Manganese Tricarbonyl Biquinoline Complex journal September 2019
Photo‐Assisted Electrocatalytic Reduction of CO 2 : A New Strategy for Reducing Catalytic Overpotentials journal October 2019
Water‐Tolerant Lead Halide Perovskite Nanocrystals as Efficient Photocatalysts for Visible‐Light‐Driven CO 2 Reduction in Pure Water journal October 2019
Solar-driven CO 2 to CO reduction utilizing H 2 O as an electron donor by earth-abundant Mn–bipyridine complex and Ni-modified Fe-oxyhydroxide catalysts activated in a single-compartment reactor journal January 2019
In situ study of the low overpotential “dimer pathway” for electrocatalytic carbon dioxide reduction by manganese carbonyl complexes journal January 2019
A rational design of manganese electrocatalysts for Lewis acid-assisted carbon dioxide reduction journal January 2019
Vibrational sum-frequency generation spectroscopy of electrode surfaces: studying the mechanisms of sustainable fuel generation and utilisation journal January 2019
Elucidating the origins of enhanced CO 2 reduction in manganese electrocatalysts bearing pendant hydrogen-bond donors journal January 2019
Inter-ligand intramolecular through-space anisotropic shielding in a series of manganese carbonyl phosphorous compounds journal January 2019
Reduction-induced CO dissociation by a [Mn(bpy)(CO) 4 ][SbF 6 ] complex and its relevance in electrocatalytic CO 2 reduction journal January 2020
Engineering a CsPbBr 3 -based nanocomposite for efficient photocatalytic CO 2 reduction: improved charge separation concomitant with increased activity sites journal January 2019
Metal–organic conjugated microporous polymer containing a carbon dioxide reduction electrocatalyst journal January 2019
Sterically hindered Re- and Mn-CO 2 reduction catalysts for solar energy conversion journal January 2020
Infrared studies of surface carbonate binding to diimine-tricarbonyl Re(I) and Mn(I) complexes in mesoporous silica journal March 2019
Chemical engineering role in the use of renewable energy and alternative carbon sources in chemical production journal February 2019
Infrared studies of surface carbonate binding to diimine-tricarbonyl Re(I) and Mn(I) complexes in mesoporous silica text January 2019

Similar Records

Determining the Overpotential for a Molecular Electrocatalyst
Journal Article · Thu Feb 06 23:00:00 EST 2014 · ACS Catalysis, 4(2):630-633 · OSTI ID:1129281
Aqueous Photoelectrochemical CO2 Reduction to CO and Methanol over a Silicon Photocathode Functionalized with a Cobalt Phthalocyanine Molecular Catalyst
Journal Article · Mon Nov 28 19:00:00 EST 2022 · Angewandte Chemie (International Edition) · OSTI ID:2377749

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY