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000517394 0247_ $$2doi$$a10.1021/acs.inorgchem.2c03278
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000517394 041__ $$aEnglish
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000517394 1001_ $$0P:(DE-HGF)0$$aTseng, Yu-Ting$$b0$$eFirst author
000517394 245__ $$aSubstrate-Gated Transformation of a Pre-Catalyst into an Iron-Hydride Intermediate [(NO)$_2$ (CO)Fe(μ-H)Fe(CO)(NO)$_2$]$^−$ for Catalytic Dehydrogenation of Dimethylamine Borane
000517394 260__ $$aWashington, DC$$bAmerican Chemical Society$$c2023
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000517394 520__ $$aContinued efforts are made on the development of earth-abundant metal catalysts for dehydrogenation/hydrolysis of amine boranes. In this study, complex [K-18-crown-6-ether][(NO)$_2$Fe(μ-$^{Me}$Pyr)(μ-CO)Fe(NO)$_2$] (3-K-crown, $^{Me}$Pyr = 3-methylpyrazolate) was explored as a pre-catalyst for the dehydrogenation of dimethylamine borane (DMAB). Upon evolution of H$_{2(g)}$ from DMAB triggered by 3-K-crown, parallel conversion of 3-K-crown into [(NO)$_2$Fe(N,N′-$^{Me}$PyrBH$_2$NMe$_2$)]− (5) and an iron-hydride intermediate [(NO)$_2$(CO)Fe(μ-H)Fe(CO)(NO)$_2$]$^−$ (A) was evidenced by X-ray diffraction/nuclear magnetic resonance/infrared/nuclear resonance vibrational spectroscopy experiments and supported by density functional theory calculations. Subsequent transformation of A into complex [(NO)$_2$Fe(μ-CO)$_2$Fe(NO)$_2$]$^−$ (6) is synchronized with the deactivated generation of H$_{2(g)}$. Through reaction of complex [Na-18-crown-6-ether][(NO)$_2$Fe(η$^2$-BH$_4$)] ($_4$-Na-crown) with CO(g) as an alternative synthetic route, isolated intermediate [Na-18-crown-6-ether][(NO)$_2$(CO)Fe(μ-H)Fe(CO)(NO)$_2$] (A-Na-crown) featuring catalytic reactivity toward dehydrogenation of DMAB supports a substrate-gated transformation of a pre-catalyst [(NO)$_2$Fe(μ-$^{Me}$Pyr)(μ-CO)Fe(NO)$_2$]$^−$ (3) into the iron-hydride species A as an intermediate during the generation of H$_{2(g)}$.
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000517394 536__ $$0G:(GEPRIS)390540038$$aDFG project 390540038 - EXC 2008: Unifying Systems in Catalysis "UniSysCat" (390540038)$$c390540038$$x4
000517394 536__ $$0G:(GEPRIS)390677874$$aDFG project 390677874 - EXC 2033: RESOLV (Ruhr Explores Solvation) (390677874)$$c390677874$$x5
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000517394 7001_ $$0P:(DE-HGF)0$$aPelmenschikov, Vladimir$$b1$$eCorresponding author
000517394 7001_ $$0P:(DE-HGF)0$$aIffland-Mühlhaus, Linda$$b2
000517394 7001_ $$0P:(DE-H253)PIP1101067$$aCalabrese, Donato$$b3
000517394 7001_ $$0P:(DE-HGF)0$$aChang, Yu-Che$$b4
000517394 7001_ $$0P:(DE-H253)PIP1097324$$aLaun, Konstantin$$b5
000517394 7001_ $$0P:(DE-HGF)0$$aPao, Chih-Wen$$b6
000517394 7001_ $$0P:(DE-H253)PIP1016663$$aSergeev, Ilya$$b7$$udesy
000517394 7001_ $$0P:(DE-HGF)0$$aYoda, Yoshitaka$$b8
000517394 7001_ $$0P:(DE-HGF)0$$aLiaw, Wen-Feng$$b9
000517394 7001_ $$0P:(DE-HGF)0$$aChen, Chien-Hong$$b10$$eCorresponding author
000517394 7001_ $$0P:(DE-HGF)0$$aHsu, I-Jui$$b11$$eCorresponding author
000517394 7001_ $$0P:(DE-H253)PIP1032991$$aApfel, Ulf-Peter$$b12$$eCorresponding author
000517394 7001_ $$0P:(DE-H253)PIP1092788$$aCaserta, Giorgio$$b13$$eCorresponding author
000517394 7001_ $$0P:(DE-H253)PIP1024012$$aLauterbach, Lars$$b14$$eCorresponding author
000517394 7001_ $$0P:(DE-HGF)0$$aLu, Tsai-Te$$b15$$eCorresponding author
000517394 773__ $$0PERI:(DE-600)1484438-2$$a10.1021/acs.inorgchem.2c03278$$gVol. 62, no. 2, p. 769 - 781$$n2$$p769 - 781$$tInorganic chemistry$$v62$$x0020-1669$$y2023
000517394 8564_ $$uhttps://bib-pubdb1.desy.de/record/517394/files/Post_referee.pdf$$yPublished on 2022-12-29. Available in OpenAccess from 2023-12-29.
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000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$a Department of Chemistry and Institute of Biomedical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan$$b0
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aTechnische Universität Berlin$$b1
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$a Department of Chemistry and Biochemistry, Inorganic Chemistry Ι, Ruhr-Universität Bochum, Bochum 44801, Germany$$b2
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-H253)PIP1101067$$a Institute of Applied Microbiology, RWTH Aachen University, Aachen 52074, Germany$$b3
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$a Institute of Biomedical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan$$b4
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000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aNational Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan$$b6
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000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aJASRI, SPring-8, Sayo-gun, Hyogo 679- 5198, Japan$$b8
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aDepartment of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan$$b9
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aDepartment of Medical Applied Chemistry, Chung Shan Medical University and Department of Medical Education, Chung Shan Medical University Hospital, Taichung 40201, Taiwan$$b10
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aDepartment of Molecular Science and Engineering, Research and Development Center of Smart Textile Technology, National Taipei University of Technology, Taipei 10608, Taiwan$$b11
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-H253)PIP1032991$$aDepartment of Chemistry and Biochemistry, Inorganic Chemistry Ι, Ruhr-Universität Bochum, Bochum 44801, Germany; Department for Electrosynthesis, Fraunhofer UMSICHT, Oberhausen 46047, Germany;$$b12
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-H253)PIP1092788$$aTechnische Universität Berlin$$b13
000517394 9101_ $$0I:(DE-HGF)0$$6P:(DE-H253)PIP1024012$$a Institute of Applied Microbiology, RWTH Aachen University, Aachen 52074, Germany$$b14
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