Home > Publications database > Substrate-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 > print

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024 7 _ |a 10.1021/acs.inorgchem.2c03278
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024 7 _ |a 0020-1669
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024 7 _ |a 1520-510X
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024 7 _ |a 10.3204/PUBDB-2023-00429
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100 1 _ |a Tseng, Yu-Ting
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245 _ _ |a Substrate-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
260 _ _ |a Washington, DC
|c 2023
|b American Chemical Society
336 7 _ |a article
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520 _ _ |a Continued 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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700 1 _ |a Pelmenschikov, Vladimir
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700 1 _ |a Iffland-Mühlhaus, Linda
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700 1 _ |a Calabrese, Donato
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700 1 _ |a Chang, Yu-Che
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700 1 _ |a Laun, Konstantin
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700 1 _ |a Pao, Chih-Wen
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700 1 _ |a Yoda, Yoshitaka
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700 1 _ |a Liaw, Wen-Feng
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700 1 _ |a Chen, Chien-Hong
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700 1 _ |a Hsu, I-Jui
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700 1 _ |a Apfel, Ulf-Peter
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700 1 _ |a Caserta, Giorgio
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700 1 _ |a Lauterbach, Lars
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700 1 _ |a Lu, Tsai-Te
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773 _ _ |a 10.1021/acs.inorgchem.2c03278
|g Vol. 62, no. 2, p. 769 - 781
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