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Volumn 79, Issue 9, 2014, Pages 1316-1325

Chemical Hydrogen Storage: Ammonia Borane Dehydrogenation Catalyzed by NP3 Ruthenium Hydrides (NP3=N(CH2CH2PPh2)3)

Author keywords

density functional calculations; hydrogen storage; phosphane ligands; ruthenium; tripodal ligands

Indexed keywords


EID: 84941124246     PISSN: None     EISSN: 21926506     Source Type: Journal    
DOI: 10.1002/cplu.201402108     Document Type: Article
Times cited : (20)

References (108)
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    • 1H NMR spectra is not reliable, because of the very broad peak of 1 at the temperatures at which it is present during this reaction.
    • 1H NMR spectra is not reliable, because of the very broad peak of 1 at the temperatures at which it is present during this reaction.
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    • The dataset for the Arrhenius fitting is limited because of the narrow working temperature range of 2. In fact, for T<298 K the rate is too low for the reaction to be monitored in a reasonable timescale, whereas at T>310 K the reaction is too fast, and it is impossible to collect the first experimental points accurately (and these are the most critical figures in an initial rate experiment).
    • The dataset for the Arrhenius fitting is limited because of the narrow working temperature range of 2. In fact, for T<298 K the rate is too low for the reaction to be monitored in a reasonable timescale, whereas at T>310 K the reaction is too fast, and it is impossible to collect the first experimental points accurately (and these are the most critical figures in an initial rate experiment).
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    • The presence of a slight curvature in the ln[AB] versus t plot in Figure 6 may be ascribed to the presence of the intermediate 1 during the reaction course, the concentration of which varies with time and cannot be considered negligible (the steady-state approximation cannot be applied in this case). Compound 1 is active in AB dehydrogenation by itself. Consequently, deviations from the pseudo-first-order conditions are expected. In addition, the complex behavior of 2 is also featured by the existence of an induction period for the catalytic AB dehydrogenation at T≤298 K.
    • The presence of a slight curvature in the ln[AB] versus t plot in Figure 6 may be ascribed to the presence of the intermediate 1 during the reaction course, the concentration of which varies with time and cannot be considered negligible (the steady-state approximation cannot be applied in this case). Compound 1 is active in AB dehydrogenation by itself. Consequently, deviations from the pseudo-first-order conditions are expected. In addition, the complex behavior of 2 is also featured by the existence of an induction period for the catalytic AB dehydrogenation at T≤298 K.
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    • 3 could not be determined, because of the compound fluxionality.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.