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Publikationer av Mårten Ahlquist

Refereegranskade

Artiklar

[1]
J. A. de Gracia Triviño och M. S. G. Ahlquist, "Removing the Barrier in O-O Bond Formation Via the Combination of Intramolecular Radical Coupling and the Oxide Relay Mechanism," Journal of Physical Chemistry A, vol. 128, no. 19, s. 3794-3800, 2024.
[2]
[3]
H. Agarwala et al., "Alternating Metal-Ligand Coordination Improves Electrocatalytic CO2 Reduction by a Mononuclear Ru Catalyst**," Angewandte Chemie International Edition, vol. 62, no. 17, 2023.
[4]
T. Liu et al., "Bioinspired Active Site with a Coordination-Adaptive Organosulfonate Ligand for Catalytic Water Oxidation at Neutral pH," Journal of the American Chemical Society, vol. 145, no. 21, s. 11818-11828, 2023.
[5]
N. S.B. Hansen et al., "Development and mechanistic investigation of the dehydrogenation of alcohols with an iron(iii) salen catalyst," Organic and biomolecular chemistry, vol. 21, no. 23, s. 4794-4800, 2023.
[7]
J. Kuzmin et al., "Electroreductive Desulfurative Transformations with Thioethers as Alkyl Radical Precursors," Angewandte Chemie International Edition, vol. 62, no. 39, 2023.
[8]
D. G. T. Juan Angel och M. S. G. Ahlquist, "Operando Condition Reaction Modeling Shows Highly Dynamic Attachment of Oligomeric Ruthenium Catalysts," ACS Catalysis, vol. 13, no. 2, s. 1270-1279, 2023.
[9]
D. Zheng et al., "Role of water in dual-ionic pyrazolium salt promoted conversion of CO2 at atmospheric pressure and room temperature," Catalysis Science & Technology, vol. 13, no. 6, s. 1818-1829, 2023.
[10]
G. Li och M. S. G. Ahlquist, "Computational comparison of Ru(bda)(py)2 and Fe(bda)(py)2 as water oxidation catalysts," Dalton Transactions, vol. 51, no. 22, s. 8618-8624, 2022.
[11]
T. Wang et al., "Dual-ionic imidazolium salts to promote synthesis of cyclic carbonates at atmospheric pressure," Green Energy and Environment, vol. 7, no. 6, s. 1327-1339, 2022.
[15]
A. T. Castner et al., "Microscopic Insights into Cation-Coupled Electron HoppingTransport in a Metal-Organic Framework br," Journal of the American Chemical Society, vol. 144, no. 13, s. 5910-5920, 2022.
[16]
J. A. De Gracia Triviño och M. S. G. Ahlquist, "The Role of Counterions in Intermolecular Radical Coupling of Ru-bda Catalysts," Topics in catalysis, vol. 65, no. 1-4, s. 383-391, 2022.
[17]
X. Chen, D. Wei och M. S. G. Ahlquist, "Aggregation and Significant Difference in Reactivity Therein : Blocking the CO2-to-CH3OH Reaction," Organometallics, vol. 40, no. 17, s. 3087-3093, 2021.
[18]
J. Yang et al., "Combined Theoretical and Experimental Studies Unravel Multiple Pathways to Convergent Asymmetric Hydrogenation of Enamides," Journal of the American Chemical Society, vol. 143, no. 51, s. 21594-21603, 2021.
[19]
J. Yi et al., "Electrostatic Interactions Accelerating Water Oxidation Catalysis via Intercatalyst O-O Coupling," Journal of the American Chemical Society, vol. 143, no. 6, s. 2484-2490, 2021.
[23]
Z. Zhao et al., "Molecular Engineering of Photocathodes based on Polythiophene Organic Semiconductors for Photoelectrochemical Hydrogen Generation," ACS Applied Materials and Interfaces, vol. 13, no. 34, s. 40602-40611, 2021.
[24]
H. Su och M. S. G. Ahlquist, "Nonbonded Zr4+ and Hf4+ Models for Simulations of Condensed Phase Metal-Organic Frameworks," The Journal of Physical Chemistry C, vol. 125, no. 11, s. 6471-6478, 2021.
[25]
Y. Xu et al., "Pivotal Electron Delivery Effect of the Cobalt Catalyst in Photocarboxylation of Alkynes : A DFT Calculation," Journal of Organic Chemistry, vol. 86, no. 2, s. 1540-1548, 2021.
[26]
M. R. Madsen et al., "Promoting Selective Generation of Formic Acid from CO2 Using Mn(bpy)(CO)(3)Br as Electrocatalyst and Triethylamine/Isopropanol as Additives," Journal of the American Chemical Society, vol. 143, no. 48, s. 20491-20500, 2021.
[27]
H. Wu et al., "Site- and Enantioselective Iridium-Catalyzed Desymmetric Mono-Hydrogenation of 1,4-Dienes," Angewandte Chemie International Edition, vol. 60, no. 35, s. 19428-19434, 2021.
[30]
[31]
W. Nie et al., "Mechanistic study on the regioselective Ni-catalyzed dicarboxylation of 1,3-dienes with CO2," ORGANIC CHEMISTRY FRONTIERS, vol. 7, no. 24, s. 4080-4088, 2020.
[33]
D. G. T. Juan Angel och M. S. G. Ahlquist, "Oxide Relay: An Efficient Mechanism for Catalytic Water Oxidation at Hydrophobic Electrode Surfaces," The Journal of Physical Chemistry Letters, vol. 11, no. 17, s. 7383-7387, 2020.
[36]
S. Samuelsen et al., "Development and mechanistic investigation of the manganese(iii) salen-catalyzed dehydrogenation of alcohols," Chemical Science, vol. 10, no. 4, s. 1150-1157, 2019.
[37]
[38]
Y. Wang, S. Zhan och M. S. G. Ahlquist, "Nucleophilic Attack by OH2 or OH- : A Detailed Investigation on pH Dependent Performance of a Ru Catalyst," Organometallics, vol. 38, no. 6, s. 1264-1268, 2019.
[39]
P. Zhang et al., "Paired Electrocatalytic Oxygenation and Hydrogenation of Organic Substrates with Water as the Oxygen and Hydrogen Source," Angewandte Chemie International Edition, vol. 58, no. 27, s. 9155-9159, 2019.
[40]
S. Zhan, J. A. De Gracia Triviño och M. S. G. Ahlquist, "The Carboxylate Ligand as an Oxide Relay in Catalytic Water Oxidation," Journal of the American Chemical Society, vol. 141, no. 26, s. 10247-10252, 2019.
[41]
S. Zhan och M. S. G. Ahlquist, "Dynamics and Reactions of Molecular Ru Catalysts at Carbon Nanotube-Water Interfaces," Journal of the American Chemical Society, vol. 140, no. 24, s. 7498-7503, 2018.
[43]
[44]
Q. Daniel et al., "Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst," ACS Catalysis, vol. 8, no. 5, s. 4375-4382, 2018.
[45]
S. Zhan et al., "Capturing the Role of Explicit Solvent in the Dimerization of Ru-V(bda) Water Oxidation Catalysts," Angewandte Chemie International Edition, vol. 56, no. 24, s. 6962-6965, 2017.
[46]
D. A. Ahlstrand et al., "Csp(3)-H Activation without Chelation Assistance in an Iridium Pincer Complex Forming Cyclometallated Products," Chemistry - A European Journal, vol. 23, no. 8, s. 1748-1751, 2017.
[47]
H. N. Kagalwala et al., "Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation," ACS Catalysis, vol. 7, no. 4, s. 2607-2615, 2017.
[48]
Y. Wang, Z. Rinkevicius och M. S. G. Ahlquist, "Formation of N-oxide in the third oxidation of [Ru-II(tpy)(L)(OH2)](2+)," Chemical Communications, vol. 53, no. 41, s. 5622-5624, 2017.
[51]
S. Martinez-Erro et al., "Base-Catalyzed Stereospecific Isomerization of Electron-Deficient Allylic Alcohols and Ethers through Ion-Pairing," Journal of the American Chemical Society, vol. 138, no. 40, s. 13408-13414, 2016.
[52]
R. Marcos et al., "Bicarbonate Hydrogenation Catalyzed by Iron : How the Choice of Solvent Can Reverse the Reaction," ACS Catalysis, vol. 6, no. 5, s. 2923-2929, 2016.
[53]
A. V. Polukeev et al., "Iridium Hydride Complexes with Cyclohexyl-Based Pincer Ligands : Fluxionality and Deuterium Exchange," Organometallics, vol. 35, no. 16, s. 2600-2608, 2016.
[54]
I. Osadchuk, T. Tamm och M. S. G. Ahlquist, "Reduced State of Iridium PCP Pincer Complexes in Electrochemical CO2 Hydrogenation," ACS Catalysis, vol. 6, no. 6, s. 3834-3839, 2016.
[55]
Y. Wang et al., "Scaling Relationships for Binding Energies of Transition Metal Complexes," Catalysis Letters, vol. 146, no. 2, s. 304-308, 2016.
[57]
A. V. Polukeev et al., "Solvent-Dependent Structure of Iridium Dihydride Complexes : Different Geometries at Low and High Dielectricity of the Medium," Chemistry - A European Journal, vol. 22, no. 12, s. 4078-4086, 2016.
[58]
T. Fan, S. Zhan och M. S. G. Ahlquist, "Why Is There a Barrier in the Coupling of Two Radicals in the Water Oxidation Reaction?," ACS Catalysis, vol. 6, no. 12, s. 8308-8312, 2016.
[60]
[62]
R. Sanchez-de-Armas och M. S. G. Ahlquist, "On the nature of hydrogen bonds to platinum(II) : Which interaction can predict their strength?," Physical Chemistry, Chemical Physics - PCCP, vol. 17, no. 2, s. 812-816, 2015.
[63]
K. J. Jonasson et al., "Reversible -Hydrogen and -Alkyl Elimination in PC(sp(3))P Pincer Complexes of Iridium," Angewandte Chemie International Edition, vol. 54, no. 32, s. 9372-9375, 2015.
[64]
I. Osadchuk, T. Tamm och M. S. G. Ahlquist, "Theoretical Investigation of a Parallel Catalytic Cycle in CO2 Hydrogenation by (PNP)IrH3," Organometallics, vol. 34, no. 20, s. 4932-4940, 2015.
[65]
L. Xue och M. S. G. Ahlquist, "A DFT Study : Why Do [Ni((P2N2R')-N-R)(2)](2+) Complexes Facilitate the Electrocatalytic Oxidation of Formate?," Inorganic Chemistry, vol. 53, no. 7, s. 3281-3289, 2014.
[66]
Y. Wang och M. S. G. Ahlquist, "A computational study of the mechanism for water oxidation by (bpc)(bpy)(RuOH2)-O-II," Dalton Transactions, vol. 43, no. 36, s. 13776-13782, 2014.
[67]
L. Wang et al., "Highly efficient and robust molecular water oxidation catalysts based on ruthenium complexes," Chemical Communications, vol. 50, no. 85, s. 12947-12950, 2014.
[70]
Y. Wang och M. S. G. Ahlquist, "Where does the water go? : A computational study on the reactivity of a ruthenium(V) oxo complex (bpc)(bpy)RuVO," Physical Chemistry, Chemical Physics - PCCP, vol. 16, s. 11182-11185, 2014.
[71]
N. Wang et al., "Catalytic activation of H2 under mild conditions by an [FeFe]-hydrogenase model via an active μ-hydride species," Journal of the American Chemical Society, vol. 135, no. 37, s. 13688-13691, 2013.
[72]
Y. Wang och M. S. G. Ahlquist, "Mechanistic studies on proton transfer in a [FeFe] hydrogenase mimic complex," Dalton Transactions, vol. 42, no. 21, s. 7816-7822, 2013.
[73]
R. Sanchez-de-Armas, L. Xue och M. S. G. Ahlquist, "One Site Is Enough : A Theoretical Investigation of Iron-Catalyzed Dehydrogenation of Formic Acid," Chemistry - A European Journal, vol. 19, no. 36, s. 11869-11873, 2013.
[75]
O. A. Mironov et al., "Using Reduced Catalysts for Oxidation Reactions : Mechanistic Studies of the “Periana-Catalytica” System for CH4 Oxidation," Journal of the American Chemical Society, vol. 135, no. 39, s. 14644-14658, 2013.
[76]
L. Duan et al., "Highly efficient and robust molecular ruthenium catalysts for water oxidation," Proceedings of the National Academy of Sciences of the United States of America, vol. 109, no. 39, s. 15584-15588, 2012.
[77]
Y. Wang et al., "Pendant amine bases speed up proton transfers to metals by splitting the barriers," Chemical Communications, vol. 48, no. 37, s. 4450-4452, 2012.
[79]
M. Ahlquist och P.-O. Norrby, "Dispersion and Back-Donation Gives Tetracoordinate [Pd(PPh3)4]," Angewandte Chemie International Edition, vol. 50, no. 49, s. 11794-11797, 2011.
[81]
M.-J. Cheng et al., "Carbon-Oxygen Bond Forming Mechanisms in Rhenium Oxo-Alkyl Complexes," Organometallics, vol. 29, no. 9, s. 2026-2033, 2010.
[82]
M. S. G. Ahlquist, "Iridium catalyzed hydrogenation of CO2 under basic conditions-Mechanistic insight from theory," Journal of Molecular Catalysis A : Chemical, vol. 324, no. 1-2, s. 3-8, 2010.
[84]
M. Ahlquist, R. A. Periana och W. A., I. Goddard, "C-H activation in strongly acidic media. The co-catalytic effect of the reaction medium," Chemical Communications, no. 17, s. 2373-2375, 2009.
[85]
W. J., I. Tenn et al., "Oxy-Functionalization of Nucleophilic Rhenium(I) Metal Carbon Bonds Catalyzed by Selenium(IV)," Journal of the American Chemical Society, vol. 131, no. 7, s. 2466-2468, 2009.
[86]
M. Ahlquist et al., "Product Protection, the Key to Developing High Performance Methane Selective Oxidation Catalysts," Journal of the American Chemical Society, vol. 131, no. 47, s. 17110-17115, 2009.
[89]
E. J. Yoo et al., "Copper-catalyzed synthesis of N-sulfonyl-1,2,3-triazoles : Controlling selectivity," Angewandte Chemie International Edition, vol. 46, no. 10, s. 1730-1733, 2007.
[90]
M. Ahlquist och V. V. Fokin, "Enhanced reactivity of dinuclear Copper(I) acetylides in dipolar cycloadditions," Organometallics, vol. 26, no. 18, s. 4389-4391, 2007.
[91]
M. Ahlquist och P.-O. Norrby, "Oxidative addition of aryl chlorides to monoligated palladium(0) : A DFT-SCRF study," Organometallics, vol. 26, no. 3, s. 550-553, 2007.
[93]
M. Ahlquist et al., "An experimental and theoretical study of the mechanism of stannylcupration of alpha, beta-acetylenic ketones and esters," Chemistry - A European Journal, vol. 12, no. 10, s. 2866-2873, 2006.
[94]
[95]
M. Ahlquist et al., "On the performance of continuum solvation models for the solvation energy of small anions," Organometallics, vol. 25, no. 1, s. 45-47, 2006.
[96]
M. Ahlquist et al., "The mechanism of the phosphine-free palladium-catalyzed hydroarylation of alkynes," Journal of the American Chemical Society, vol. 128, no. 39, s. 12785-12793, 2006.
[98]
M. Ahlquist et al., "Palladium(0) alkyne complexes as active species : a DFT investigation," Chemical Communications, no. 33, s. 4196-4198, 2005.

Icke refereegranskade

Artiklar

[100]
X. Chen och M. S. G. Ahlquist, "Deconstructing the Enhancing Effect on CO2 Activation in the Electric Double Layer with EVB Dynamic Reaction Modeling," The Journal of Physical Chemistry C, vol. 124, no. 41, s. 22479-22487, 2020.
[101]
M. Hribersek et al., "Distal control of aryne capture regioselectivity by an in situ formed boronate," Abstracts of Papers of the American Chemical Society, vol. 258, 2019.
[102]
M. S. G. Ahlquist och R. Marcos Escartin, "Bicarbonate hydrogenation by iron : Effects of solvent and ligand on the mechanism," Abstracts of Papers of the American Chemical Society, vol. 255, 2018.
[103]
M. Ahlquist och S. Zhan, "Modeling molecular water oxidation catalysts at interfaces," Abstracts of Papers of the American Chemical Society, vol. 255, 2018.
[104]
S. M. Erro et al., "Metal-free stereospecific isomerization of electron-deficient allylic alcohols and allylic ethers," Abstracts of Papers of the American Chemical Society, vol. 254, 2017.
[105]
R. Marcos Escartin et al., "Bicarbonate hydrogenation by iron : How the choice of solvent can reverse the reaction," Abstracts of Papers of the American Chemical Society, vol. 251, 2016.
[106]
M. S. G. Ahlquist et al., "Proton transfers in first row transition metal complexes," Abstracts of Papers of the American Chemical Society, vol. 245, s. 1381-INOR, 2013.
[107]
M. S. G. Ahlquist och P.-O. Norrby, "Dispersion and back-donation gives tetracoordinate Pd(PPh3)(4)," Abstracts of Papers of the American Chemical Society, vol. 243, 2012.

Konferensbidrag

[108]
M. T. Johnson et al., "Mechanisms of the CO2 insertion into palladium allyl and methyl sigma-bonds," i 241st National Meeting and Exposition of the American-Chemical-Society (ACS), 2011.
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