Neutron vibrational spectroscopy of imide ions (NH2−) in bariumimide (BaNH)

Eβmann, R.; Jacobs, H.; Tomkinson, J.

doi:10.1016/0925-8388(93)90284-t

Cited by 3 publications

(2 citation statements)

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“…The decomposition behavior of Ba(NH 2 ) 2 is more complicated than those of Mg(NH 2 ) 2 and Ca(NH 2 ) 2 . Jacobs et al reported that Ba(NH 2 ) 2 decomposes to Ba(NH) 1– x N 2/3 x ( x = 0.1) and NH 3 after heating to 370 °C . With the aid of mass spectrometer (MS), we observed the evolution of considerable amount of H 2 and N 2 besides NH 3 as shown in Figure e.…”

Section: Resultsmentioning

confidence: 69%

“…Jacobs et al reported that Ba(NH 2 ) 2 decomposes to Ba(NH) 1−x N 2/3x (x = 0.1) and NH 3 after heating to 370 °C. 47 With the aid of mass spectrometer (MS), we observed the evolution of considerable amount of H 2 and N 2 besides NH 3 as shown in Figure 5e. XRD pattern shows that BaNH forms after TPR treatment to 500 °C (Figure S4).…”

Section: ■ Results and Discussionmentioning

confidence: 97%

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Effects of Alkaline Earth Metal Amides on Ru in Catalytic Ammonia Decomposition

Pei

Guo²,

Lin³

et al. 2016

J. Phys. Chem. C

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The effects of alkaline earth metal amides (Mg(NH2)2, Ca(NH2)2, and Ba(NH2)2) on Ru in catalyzing NH3 decomposition were investigated. The catalytic activities rank in the order of Ru–Ba(NH2)2 > Ru–Ca(NH2)2 > Ru–Mg(NH2)2, among which Ru–Ba(NH2)2 and Ru–Ca(NH2)2 catalysts have higher intrinsic activities (TOF) and lower apparent activation energies than those of Ru–Mg(NH2)2 and Ru/MgO catalysts, indicating that Ca(NH2)2 and Ba(NH2)2 may have different roles from those of Mg(NH2)2 and MgO. The TPR (temperature-programmed reaction) results show that Ca(NH2)2 or Ba(NH2)2 decomposes to N2 and H2 rather than NH3 in the presence of Ru. Ru may promote the NH x (x = 1, 2) coupling to H2 and N2 and change the decomposition pathways of Ca(NH2)2 and Ba(NH2)2. Kinetic analyses reveal that the Ru promoted NH x coupling to H2 and N2 may be the rate-determining step for catalytic ammonia decomposition. We suggest that the catalysis is very likely fulfilled via (1) Ru catalyzes the decomposition of amides to form H2, N2, and imides through an energy more favorable pathway and (2) imides react with NH3 to regenerate amides. The presence of Ca(NH2)2 or Ba(NH2)2 creates a NH x -rich environment, and Ru mediates the electron transfer from NH x to facilitate NH x coupling to N2 and H2.

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Section: Resultsmentioning

confidence: 69%

Section: ■ Results and Discussionmentioning

confidence: 97%

Effects of Alkaline Earth Metal Amides on Ru in Catalytic Ammonia Decomposition

Pei

Guo²,

Lin³

et al. 2016

J. Phys. Chem. C

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Synthesis and Structural Characterization of a New Alkaline Earth Imide: MgCa(NH)₂

Liu

Xiong

et al. 2006

Eur J Inorg Chem

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The ternary imide of MgCa(NH)2 has been successfully synthesized for the first time by the mechanochemical reaction of Mg(NH2)2 and CaH2 at a molar ratio of 1:1. It was found that ca. four H atoms were desorbed per Mg(NH2)2‐CaH2 after 72 h of ball milling leaving a solid residue with the chemical composition of MgCa(NH)2. The solid residue exhibits an imide N–H stretching vibration at 3151 cm–1 and a cubic CaNH‐like structure. In addition, X‐ray Absorption Fine Structure examination at the Ca K‐edge indicates that six N atoms occupy the first coordination shell of the Ca center in an anticipated octahedral geometry, and Ca(Mg) atoms occupy the second coordination shell. The distances of Ca–N and Ca–Ca(Mg) in the newly formed MgCa(NH)2 structure calculated by ESDs are 2.46 and 3.47 Å, respectively. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

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On the Structural Transformation of Ni/BaH2 During a N2-H2 Chemical Looping Process for Ammonia Synthesis: A Joint In Situ Inelastic Neutron Scattering and First-Principles Simulation Study

et al. 2021

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Neutron vibrational spectroscopy of imide ions (NH2−) in bariumimide (BaNH)

Cited by 3 publications

References 8 publications

Effects of Alkaline Earth Metal Amides on Ru in Catalytic Ammonia Decomposition

Effects of Alkaline Earth Metal Amides on Ru in Catalytic Ammonia Decomposition

Synthesis and Structural Characterization of a New Alkaline Earth Imide: MgCa(NH)₂

On the Structural Transformation of Ni/BaH2 During a N2-H2 Chemical Looping Process for Ammonia Synthesis: A Joint In Situ Inelastic Neutron Scattering and First-Principles Simulation Study

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Neutron vibrational spectroscopy of imide ions (NH2−) in bariumimide (BaNH)

Cited by 3 publications

References 8 publications

Effects of Alkaline Earth Metal Amides on Ru in Catalytic Ammonia Decomposition

Effects of Alkaline Earth Metal Amides on Ru in Catalytic Ammonia Decomposition

Synthesis and Structural Characterization of a New Alkaline Earth Imide: MgCa(NH)2

On the Structural Transformation of Ni/BaH2 During a N2-H2 Chemical Looping Process for Ammonia Synthesis: A Joint In Situ Inelastic Neutron Scattering and First-Principles Simulation Study

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Synthesis and Structural Characterization of a New Alkaline Earth Imide: MgCa(NH)₂