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@ARTICLE{Tseng:517394,
      author       = {Tseng, Yu-Ting and Pelmenschikov, Vladimir and
                      Iffland-Mühlhaus, Linda and Calabrese, Donato and Chang,
                      Yu-Che and Laun, Konstantin and Pao, Chih-Wen and Sergeev,
                      Ilya and Yoda, Yoshitaka and Liaw, Wen-Feng and Chen,
                      Chien-Hong and Hsu, I-Jui and Apfel, Ulf-Peter and Caserta,
                      Giorgio and Lauterbach, Lars and Lu, Tsai-Te},
      title        = {{S}ubstrate-{G}ated {T}ransformation of a {P}re-{C}atalyst
                      into an {I}ron-{H}ydride {I}ntermediate [({NO})$_2$
                      ({CO}){F}e(μ-{H}){F}e({CO})({NO})$_2$]$^−$ for
                      {C}atalytic {D}ehydrogenation of {D}imethylamine {B}orane},
      journal      = {Inorganic chemistry},
      volume       = {62},
      number       = {2},
      issn         = {0020-1669},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {PUBDB-2023-00429},
      pages        = {769 - 781},
      year         = {2023},
      abstract     = {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$_{2(g)}$.},
      cin          = {DOOR ; HAS-User / FS-PET-S},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PET-S-20190712},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      FS-Proposal: I-20210059 (I-20210059) / FS-Proposal:
                      I-20211258 (I-20211258) / DFG project 390540038 - EXC 2008:
                      Unifying Systems in Catalysis "UniSysCat" (390540038) / DFG
                      project 390677874 - EXC 2033: RESOLV (Ruhr Explores
                      Solvation) (390677874) / DFG project 390919832 - EXC 2186:
                      Das Fuel Science Center – Adaptive Umwandlungssysteme für
                      erneuerbare Energie- und Kohlenstoffquellen (390919832)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(DE-H253)I-20210059 / G:(DE-H253)I-20211258 /
                      G:(GEPRIS)390540038 / G:(GEPRIS)390677874 /
                      G:(GEPRIS)390919832},
      experiment   = {EXP:(DE-H253)P-P01-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {36580657},
      UT           = {WOS:000907025800001},
      doi          = {10.1021/acs.inorgchem.2c03278},
      url          = {https://bib-pubdb1.desy.de/record/517394},
}