Detection of intermediates for diatomic [TaO]+ catalyzed gas-phase reaction of methane coupling to ethane and ethylene by ICP-MS/MS

Microchemical Journal - Tập 161 - Trang 105762 - 2021
Xuewei Zhu1, Fujian Xu1,2, Qian He3, Zhi Xing1, Sichun Zhang1, Xinrong Zhang1
1Department of Chemistry, Tsinghua University, Beijing 100084, China
2College of Chemistry and Environment, Southwest Minzu University, Chengdu, 610041, China
3Key Laboratory of Marine Chemistry Theory and Technology, Ocean University of China, Qingdao 266100, China

Tài liệu tham khảo

Olivos-Suarez, 2016, Strategies for the direct catalytic valorization of methane using heterogeneous catalysis: challenges and opportunities, ACS Catal., 6, 2965, 10.1021/acscatal.6b00428 Ito, 1985, Synthesis of ethylene and ethane by partial oxidation of methane over lithium-doped magnesium oxide, Nature, 314, 721, 10.1038/314721b0 Lunsford, 1995, The Catalytic Oxidative Coupling of Methane, Angew. Chem. Int. Ed., 34, 970, 10.1002/anie.199509701 Tang, 2014, Methane activation: the past and future, Energ. Environ. Sci., 7, 2580, 10.1039/C4EE00604F Coperet, 2010, C-H Bond Activation and Organometallic Intermediates on Isolated Metal Centers on Oxide Surfaces, Chem. Rev., 110, 656, 10.1021/cr900122p Zatsepin, 2019, Conversion of methane to ethylene using an Ir complex and phosphorus ylide as a methylene transfer reagent, Chem. Commun., 55, 1927, 10.1039/C8CC08761J Schwach, 2017, Direct Conversion of Methane to Value-Added Chemicals over Heterogeneous Catalysts: Challenges and Prospects, Chem. Rev., 117, 8497, 10.1021/acs.chemrev.6b00715 Shima, 2016, The Biological Methane-Forming Reaction: Mechanism Confirmed Through Spectroscopic Characterization of a Key Intermediate, Angew. Chem. Int. Ed., 55, 13648, 10.1002/anie.201606269 Iacobucci, 2016, Elusive Reaction Intermediates in Solution Explored by ESI-MS: Reverse Periscope for Mechanistic Investigations, Angew. Chem. Int. Edit., 55, 2980, 10.1002/anie.201507088 Crumpton-Bregel, 2003, Mechanisms of C−C and C−H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?, J. Am. Chem. Soc., 125, 9442, 10.1021/ja029140u Bohme, 2005, Gas-phase catalysis by atomic and cluster metal ions: The ultimate single-site catalysts, Angew. Chem. Int. Edit., 44, 2336, 10.1002/anie.200461698 Schwarz, 2011, Chemistry with methane: concepts rather than recipes, Angew Chem. Int. Edit., 50, 10096, 10.1002/anie.201006424 Roithova, 2010, Selective activation of alkanes by gas-phase metal ions, Chem. Rev., 110, 1170, 10.1021/cr900183p Cheng, 2019, Mechanistic understanding of catalysis by combining mass spectrometry and computation, Chem. Commun., 55, 12749, 10.1039/C9CC05458H Dietl, 2011, Diatomic CuO+ and its role in the spin-selective hydrogen- and oxygen-atom transfers in the thermal activation of methane, Angew. Chem. Int. Edit., 50, 4966, 10.1002/anie.201100606 Sun, 2018, On the origin of the distinctly different reactivity of ruthenium in MO+/CH4 systems (M = Fe, Ru, Os), Angew Chem. Int. Edit., 57, 5934, 10.1002/anie.201800173 Irikura, 1989, Osmium-tetroxide and its fragment ions in the gas-phase-reactivity with hydrocarbons and small molecules, J. Am. Chem. Soc., 111, 75, 10.1021/ja00183a014 Li, 2016, Mechanistic variants in gas-phase metal-oxide mediated activation of methane at ambient conditions, J. Am. Chem. Soc., 138, 11368, 10.1021/jacs.6b07246 Zhou, 2016, The unique gas-phase chemistry of the AuO+/CH4 couple: selective oxygen-atom transfer to, rather than hydrogen-atom abstraction from, methane, Angew Chem. Int. Edit., 55, 10877, 10.1002/anie.201605259 He, 2016, Rapid screening of copper intermediates in Cu(I)-catalyzed azide-alkyne cycloaddition using a modified ICP-MS/MS platform, Chem. Commun., 52, 10501, 10.1039/C6CC04793A He, 2018, Rapid screening of gas catalysts in methane activation Using ICP-QQQ-MS, J. Anal. At. Spectrom., 33, 563, 10.1039/C7JA00345E Zhu, 2020, The screening of intermediates in a ruthenium and iridium ion-catalyzed gas-phase reaction of ethanol converting to butanol by ICP-MS/MS, J. Anal. At. Spectrom., 35, 804, 10.1039/D0JA00021C Zhu, 2020, Intermediates detection in the conversion of ethanol to butanol catalyzed by zirconium, cerium, titanium monoxide cations by inductively coupled plasma tandem mass spectrometry, Microchem. J., 156, 104926, 10.1016/j.microc.2020.104926 Soulivong, 2008, Non-oxidative coupling reaction of methane to ethane and hydrogen catalyzed by the silica-supported tantalum hydride: (SiO)2Ta-H, J. Am. Chem. Soc., 130, 5044, 10.1021/ja800863x Chen, 2015, Alkane metathesis with the tantalum methylidene (SiO)Ta(=CH2)Me2/(SiO)2Ta(=CH2)Me generated from well-defined surface organometallic complex (SiO)(TaMe4)-Me-V, J. Am. Chem. Soc., 137, 588, 10.1021/ja5113468 Zhao, 2010, Hydrogen-atom abstraction from methane by stoichiometric early transition metal oxide cluster cations, Chem. Commun., 46, 1736, 10.1039/b924603g Zhou, 2016, Efficient room-temperature activation of methane by TaN+ under C-N coupling, Angew Chem Int Edit, 55, 11678, 10.1002/anie.201606259 Zhou, 2016, Differences and commonalities in the gas-phase reactions of closed-shell metal dioxide clusters MO2+ (M=V, Nb, and Ta) with Methane, Chem. Eur. J., 22, 7225, 10.1002/chem.201600498 Zhou, 2016, Spin-selective thermal activation of methane by closed-shell TaO3+, Angew Chem. Int. Edit., 55, 7257, 10.1002/anie.201601965 Adamo, 1999, Toward reliable density functional methods without adjustable parameters: The PBE0 model, J. Chem. Phys., 110, 6158, 10.1063/1.478522 Grimme, 2010, A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu, J. Chem. Phys., 132, 10.1063/1.3382344 Weigend, 2005, Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy, Phys. Chem. Chem. Phys., 7, 3297, 10.1039/b508541a Levin, 2020, Catalytic non-oxidative coupling of methane on Ta8O2, J. Am. Chem. Soc., 142, 5862, 10.1021/jacs.0c01306 Parke, 2007, Experimental and Theoretical Studies of the Activation of Methane by Ta+, J. Phys. Chem. C, 111, 17773, 10.1021/jp070855z Sändig, 1997, Mechanism of the Ta+-Mediated Activation of the C−H Bond in Methane, Organometallics, 16, 5244, 10.1021/om970463m Koszinowski, 2003, Probing Cooperative Effects in Bimetallic Clusters: Indications of C−N Coupling of CH4 and NH3 Mediated by the Cluster Ion PtAu+ in the Gas Phase, J. Am. Chem. Soc., 125, 3676, 10.1021/ja029791q Koszinowski, 2004, C−N Coupling of Methane and Ammonia by Bimetallic Platinum−Gold Cluster Cations, Organometallics, 23, 1132, 10.1021/om0306675 Koszinowski, 2004, CH- and NH-activation by gaseous Rh2+ and PtRh+ cluster ions, Int. J. Mass Spectrom., 237, 19, 10.1016/j.ijms.2004.06.009 Ard, 2014, Activation of Methane by FeO+: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical Modeling, J. Phys. Chem. A, 118, 2029, 10.1021/jp5000705 Schröder, 1990, FeO+ Activates Methane, Angew. Chem. Int. Ed., 29, 1433, 10.1002/anie.199014331 Lang, 2010, Methane Activation and Catalytic Ethylene Formation on Free Au2+, Angew. Chem. Int. Edit., 49, 980, 10.1002/anie.200905643 Zhou, 2016, Efficient Room-Temperature Activation of Methane by TaN+ under C−N Coupling, Angew. Chem. Int. Ed., 55, 11678, 10.1002/anie.201606259 Li, 2016, Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]+ with Methane under Ambient Conditions, Angew. Chem. Int. Ed., 55, 13072, 10.1002/anie.201606707