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You searched for: Journal Journal of the American Chemical Society Remove constraint Journal: Journal of the American Chemical Society Subject methanol Remove constraint Subject: methanol Subject hydroxyl radicals Remove constraint Subject: hydroxyl radicals
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1. Tracking the Formation of a Polynuclear Co16 Complex and Its Elimination and Substitution Reactions by Mass Spectroscopy and Crystallography

Author:
Hu Yue-Qiao; Zeng Ming-Hua; Zhang Kun; Hu Sheng; Zhou Fu-Fang; Kurmoo Mohamedally
Source:
Journal of the American Chemical Society 2013 v.135 no.21 pp. 7901-7908
ISSN:
1520-5126
Subject:
benzimidazole; cobalt; crystallography; crystals; electrospray ionization mass spectrometry; hydroxyl radicals; ligands; methanol; nitrogen
Abstract:
... We present the syntheses and structures of the biggest chiral cobalt coordination cluster, [Co₁₆(L)₄(H₃L)₈(N₃)₆](NO₃)₂·16H₂O·2CH₃OH (1, where H₄L = S,S-1,2-bis(1H-benzimidazol-2-yl)-1,2-ethanediol). 1 consists of two Co₄O₄ cubes (Co₄(L)₂(H₃L)₂) alternating with Co₂(EO-N₃)₂Co₂ (Co₄(L)₂(H₃L)₂(N₃)₂), bridged by the benzimidazole and azide nitrogen atoms to form a twisted ring. The ligand adopts both ...
DOI:
10.1021/ja3123784

2. An Electrochemical Quartz Crystal Microbalance Study of a Prospective Alkaline Anion Exchange Membrane Material for Fuel Cells: Anion Exchange Dynamics and Membrane Swelling

Author:
John Jimmy; Hugar Kristina M.; Rivera-Meléndez Johary; Kostalik Henry A.; Rus Eric D.; Wang Hongsen; Coates Geoffrey W.; Abruña Héctor D.
Source:
Journal of the American Chemical Society 2014 v.136 no.14 pp. 5309-5322
ISSN:
1520-5126
Subject:
acoustic impedance; anion exchange; anions; electrochemistry; electrodes; formates; fuel cells; hydroxyl radicals; ion-exchange membranes; methanol; monitoring; oxidation; quartz; solvents; viscoelasticity
Abstract:
... A strategy has been devised to study the incorporation and exchange of anions in a candidate alkaline anion exchange membrane (AAEM) material for alkaline fuel cells using the electrochemical quartz crystal microbalance (EQCM) technique. It involves the electro-oxidation of methanol (CH₃OH) under alkaline conditions to generate carbonate (CO₃²–) and formate (HCOO–) ions at the electrode of a quart ...
DOI:
10.1021/ja4117457

3. Mechanism of O2 Activation and Methanol Production by (Di(2-pyridyl)methanesulfonate)PtIIMe(OHn)(2–n)– Complex from Theory with Validation from Experiment

Author:
Liu Wei-Guang; Sberegaeva Anna V.; Nielsen Robert J.; Goddard William A.; Vedernikov Andrei N.
Source:
Journal of the American Chemical Society 2014 v.136 no.6 pp. 2335-2341
ISSN:
1520-5126
Subject:
chemical bonding; hydroxyl radicals; isomers; ligands; methanol; nitrogen; oxidation; oxygen; pH; pyridines; superoxide anion
Abstract:
... The mechanism of the (dpms)PtᴵᴵMe(OHₙ)⁽²–ⁿ⁾⁻ oxidation in water to form (dpms)PtᴵⱽMe(OH)₂ and (dpms)PtᴵⱽMe₂(OH) complexes was analyzed using DFT calculations. At pH < 10, (dpms)PtᴵᴵMe(OHₙ)⁽²–ⁿ⁾– reacts with O₂ to form a methyl Pt(IV)–OOH species with the methyl group trans to the pyridine nitrogen, which then reacts with (dpms)PtᴵᴵMe(OHₙ)⁽²–ⁿ⁾– to form 2 equiv of (dpms)PtᴵⱽMe(OH)₂, the major oxida ...
DOI:
10.1021/ja409036c

4. Role of the Chemically Non-Innocent Ligand in the Catalytic Formation of Hydrogen and Carbon Dioxide from Methanol and Water with the Metal as the Spectator

Author:
Li Haixia; Hall Michael B.
Source:
Journal of the American Chemical Society 2015 v.137 no.38 pp. 12330-12342
ISSN:
1520-5126
Subject:
carbon dioxide; catalysts; dehydrogenation; formaldehyde; formates; formic acid; hydrides; hydrogen; hydroxyl radicals; ligands; methanol; methodology; ruthenium
Abstract:
... The catalytic mechanism for the production of H₂ and CO₂ from CH₃OH and H₂O by [K(dme)₂][Ru(H) (trop₂dad)] (K(dme)₂.1_exp) was investigated by density functional theory (DFT) calculations. Since the reaction occurs under mild conditions and at reasonable rates, it could be considered an ideal way to use methanol to store hydrogen. The predicted mechanism begins with the dehydrogenation of methanol ...
DOI:
10.1021/jacs.5b07444

5. Sub-4 nm PtZn Intermetallic Nanoparticles for Enhanced Mass and Specific Activities in Catalytic Electrooxidation Reaction

Author:
Qi Zhiyuan; Xiao Chaoxian; Liu Cong; Goh Tian Wei; Zhou Lin; Maligal-Ganesh Raghu; Pei Yuchen; Li Xinle; Curtiss Larry A.; Huang Wenyu
Source:
Journal of the American Chemical Society 2017 v.139 no.13 pp. 4762-4768
ISSN:
1520-5126
Subject:
carbon nanotubes; catalysts; fuel cells; hydroxyl radicals; methanol; methodology; nanoparticles; oxidation; porous media; prediction; silica; temperature; zinc
Abstract:
... Atomically ordered intermetallic nanoparticles (iNPs) have sparked considerable interest in fuel cell applications by virtue of their exceptional electronic and structural properties. However, the synthesis of small iNPs in a controllable manner remains a formidable challenge because of the high temperature generally required in the formation of intermetallic phases. Here we report a general metho ...
DOI:
10.1021/jacs.6b12780

6. Kinetics of the Methanol Reaction with OH at Interstellar, Atmospheric, and Combustion Temperatures

Author:
Lu Gem Gao; Jingjing Zheng; Antonio Fernández-Ramos; Donald G. Truhlar; Xuefei Xu
Source:
Journal of the American Chemical Society 2018 v.140 no.8 pp. 2906-2918
ISSN:
1520-5126
Subject:
biofuels; combustion; energy; hydrogen; hydroxyl radicals; isotopes; methanol; models; temperature
Abstract:
... The OH radical is the most important radical in combustion and in the atmosphere, and methanol is a fuel and antifreeze additive, model biofuel, and trace atmospheric constituent. These reagents are also present in interstellar space. Here we calculate the rate constants, branching ratios, and kinetic isotope effects (KIEs) of the hydrogen abstraction reaction of methanol by OH radical in a broad ...
DOI:
10.1021/jacs.7b12773