High pressure studies of Ni3[(C2H5N5)6(H2O)6](NO3)6·1.5H2O by Raman scattering, IR absorption, and synchrotron X-ray diffraction

Jiang, Junru; Zhang, Jian Guo; Zhu, Peifen; Li, Jianfu; Wang, Xiaoli; Li, Dongmei; Liu, Bingbing; Cui, Qiliang; Zhu, Hongyang

doi:10.1039/c6ra09030c

Cited by 6 publications

(6 citation statements)

References 24 publications

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“…The change of ring C–C stretching mode (ν C–C) and C–H stretching mode (ν C–H) suggest the distortion of benzene ring. The distortion change of ring in cyclic compound further leads to the conformational transformation under high pressure. , Analogously, it is perfect presented that the second phase transition (II - III) in 4-CBSA is just indicated by the change of Raman mode ν C–C and ν C–H. The possible molecular conformation of phase III 4-CBSA is exhibited in Figure .…”

Section: Resultsmentioning

confidence: 76%

Pressure-Induced Phase Transitions and Amorphization of 4-Carboxybenzenesulfonyl Azide

Jiang

Zhu

et al. 2016

J. Phys. Chem. C

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The in situ high-pressure phase transition behaviors of energetic material 4-carboxybenzenesulfonyl azide (C7H5N3O4S, 4-CBSA) have been investigated by the measurements of Raman scattering, mid-IR absorption, and angle-dispersive X-ray diffraction (ADXRD) in diamond anvil cells, the highest pressure in our studies was up to ∼14.6 GPa at room temperature. 4-CBSA transforms from phase I into phase II around 0.5–0.9 GPa, and then starts to going to phase III at about 2.5 GPa, phase II coexists with phase III until to about 5.5 GPa, the phase III of 4-CBSA finally begins to transform into amorphous state above 10.5 GPa. The first phase transition (phase I–II) of 4-CBSA is induced by the change of molecular conformation, and the second phase transition (phase II–III) is attributed to the distortion of benzene ring and the change of intermolecular O–H···O hydrogen bonds. The existence of sulfonyl group makes it much easier for the bent azide group to decompose under high pressure, which interpret that the amorphization pressure in 4-CBSA is much lower than that in benzyl azide. The unique behavior of the azide group may be helpful to understand the electron orbit hybridization and the formation of polymeric nitrogen.

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Section: Resultsmentioning

confidence: 76%

Pressure-Induced Phase Transitions and Amorphization of 4-Carboxybenzenesulfonyl Azide

Jiang

Zhu

et al. 2016

J. Phys. Chem. C

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“…In light of phase IV has more diffration peaks than phase III, we propose that the third high pressure phase has a monoclinic structure with P 2 space group with the refinement result as displayed in Figure c. Above 10.3 GPa, four diffraction peaks signed as asterisks (*) start to shift toward lower angle until 14.2 GPa, which could be attributed to the abnormal expansion of 4-TsN 3 . − Along with the transition, the intensity of diffraction peaks decrease, and several peaks tend to disappear gradually, indicating the amorphous trend in 4-TsN 3 . Up to the highest pressure of 15.3 GPa, 4-TsN 3 completely transforms into amorphous state.…”

Section: Results and Discussionmentioning

confidence: 84%

Effect of Pressure on 4-Toluenesulfonyl Azide Studied by Raman Scattering and Synchrotron X-ray Diffraction

Jiang

Zhu

et al. 2017

J. Phys. Chem. C

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The effect of high pressure on the phase transition behaviors of 4-toluenesulfonyl azide (C7H7N3O2S, 4-TsN3) have been investigated by Raman scattering and angle-dispersive X-ray diffraction (ADXRD) measurements in diamond anvil cells up to ∼15.6 GPa at room temperature. The liquid 4-TsN3 (phase I) begins to transform into solid state (phase II) at 0.7 GPa, and turns to phase III at about 2.7 GPa, then going to phase IV at about 6.3 GPa. The phase IV of 4-TsN3 finally starts to turn into an amorphous state above 10.6 GPa. The first phase transition (phase I to phase II) of 4-TsN3 is triggered by the rearrangement of CH···π interaction, and the second phase transition (phase II to phase III) is attributed to the conformational change, then the rotation of sulfonyl leads to the third phase transition (phase III to phase IV). The variation of sulfonyl has an influence on the behavior of azide group which will bend and further decompose upon compression. In the process of amorphization, the lattice structure of 4-TsN3 abnormally expanded, which may be caused by the change of CH···π interactions. We anticipate that the high pressure study of 4-TsN3 provides information toward further understanding and optimizing synthesis conditions of the polymeric nitrogen using azides as starting materials, especially using organic azides.

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“…As the organic groups have the approximately identical wavenumber in different compounds, the Raman spectra of DPPA were analyzed according to the characteristic wavenumber of benzyl azide and other organic azide. [32,[35][36][37] The vibrational properties of DPPA were calculated by DFT method, and the calculated Raman spectra are given in Figure 1d. Table S1 summarizes the wavenumber and assignments of all Raman vibrations.…”

Section: Resultsmentioning

confidence: 99%

Raman spectroscopy and X‐ray diffraction of diphenylphosphoryl azide under high pressures

Yang

Huili

et al. 2022

J Raman Spectroscopy

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Diphenylphosphoryl azide ((C6H5O)2P(O)N3, DPPA) was studied by in situ Raman scattering spectroscopy and synchrotron angle‐dispersive X‐ray diffraction (ADXRD) technologies up to 11.6 GPa at room temperature. The analyses of Raman spectra revealed that the liquid DPPA transformed from Phase I to Phase II at 0.4 GPa and went to Phase III at 1.3 GPa. The first phase transition was attributed to the change of molecular conformation, and the second phase transition was induced by the deformation of benzene rings. The XRD results suggested that DPPA remained in a liquid state during the two phase transitions. The azide group became increasingly asymmetric under pressure and decomposed at 11.6 GPa. The low decomposition pressure of the azide group is conducive to the formation of polymeric nitrogen. Exploring the behaviors of the azide group under pressure might be helpful for understanding the potential application of DPPA in the synthesis of high energy density materials (HEDMs).

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High pressure studies of Ni₃[(C₂H₅N₅)₆(H₂O)₆](NO₃)₆·1.5H₂O by Raman scattering, IR absorption, and synchrotron X-ray diffraction

Cited by 6 publications

References 24 publications

Pressure-Induced Phase Transitions and Amorphization of 4-Carboxybenzenesulfonyl Azide

Pressure-Induced Phase Transitions and Amorphization of 4-Carboxybenzenesulfonyl Azide

Effect of Pressure on 4-Toluenesulfonyl Azide Studied by Raman Scattering and Synchrotron X-ray Diffraction

Raman spectroscopy and X‐ray diffraction of diphenylphosphoryl azide under high pressures

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