Raman and synchrotron X‐ray diffraction studies of 4‐azidobenzoic acid under high pressures

Yang, Wen; Huili, Wei; Yu, Tian‐yi; Ding, Jie; Jiang, Junru; Wang, Jian; Zhang, He; Zhu, Hongyang

doi:10.1002/jrs.6493

Cited by 2 publications

(4 citation statements)

References 27 publications

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“…Lastly, the Raman bands at 299/244/189 cm −1 are designated as the lattice modes. 29 The assignments of the vibrational modes are summarized in Table 1.…”

Section: Resultsmentioning

confidence: 99%

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Raman and Synchrotron X-ray Diffraction Studies of Cd₂(C₂H₆N₆)₄(NO₃)·4H₂O under High Pressures

Ding,

Pu,

Jiang

et al. 2024

J. Phys. Chem. C

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Cd 2 (C 2 H 6 N 6 ) 4 (NO 3 ) 4 •H 2 O (CdHATr), a triazole-based energetic compound, was selected for high-pressure research. Employing in situ Raman scattering and synchrotron angle-dispersive X-ray diffraction (ADXRD) technologies, this study investigated CdHATr up to ∼16.3 GPa at room temperature. The vibrational modes of CdHATr at ambient pressure were comprehensively resolved based on the experimental results. Detailed spectral analyses revealed that CdHATr underwent three pressure-induced phase transitions at 0.5, 2.2, and 5.2 GPa. ADXRD experiments confirmed the presence of these phase transitions, as observed in Raman spectral analyses. By analyzing the changes of the vibrational spectra and the lattice parameters under pressure, it is suggested that the first phase transition arises from the deformation of the 3-hydrazino-4-amino-1,2,4-triazole (HATr) ligand, the second phase transition results from the rearrangement of hydrogen bonds, and the third phase transition is caused by the conformational change of the triazole ring. ADXRD results show that CdHATr may experience an abnormal expansion at 0.5 GPa, which is probably caused by the deformation of the HATr ligand. This work contributes to the understanding of the structures of triazole-based energetic compounds under pressure, which will help in the synthesis of new compounds in the future.

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“…Lastly, the Raman bands at 299/244/189 cm −1 are designated as the lattice modes. 29 The assignments of the vibrational modes are summarized in Table 1.…”

Section: Resultsmentioning

confidence: 99%

“…Furthermore, the C–N bending mode and the Cd–N bending mode are identified at 483 and 406 cm –1 , respectively. Lastly, the Raman bands at 299/244/189 cm –1 are designated as the lattice modes . The assignments of the vibrational modes are summarized in Table .…”

Section: Resultsmentioning

confidence: 99%

Raman and Synchrotron X-ray Diffraction Studies of Cd₂(C₂H₆N₆)₄(NO₃)·4H₂O under High Pressures

Ding,

Pu,

Jiang

et al. 2024

J. Phys. Chem. C

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“…In the Raman spectra, the C−N bending mode, the N−NH 2 bending mode, and the Mn−N bending mode are at 484, 446, and 399 cm −1 , respectively. The bands at 307/254/188/145 cm −1 are identified as the hydrogen bond modes in the Raman spectra 35 …”

Section: Resultsmentioning

confidence: 99%

“…The bands at 307/254/188/145 cm À1 are identified as the hydrogen bond modes in the Raman spectra. 35…”

Section: The Assignment Of Vibrational Modesmentioning

confidence: 99%

High‐pressure studies of Mn₂(C₂H₆N₆)₄(NO₃)₄·2H₂O by Raman scattering, infrared absorption, and synchrotron X‐ray diffraction

Ding,

Zhang,

et al. 2024

J Raman Spectroscopy

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Mn2(C2H6N6)4(NO3)4·2H2O (Mn) as one of the energetic coordination complexes was chosen for high‐pressure research. In this work, Mn was analyzed by in situ Raman scattering, infrared absorption, and synchrotron angle‐dispersive X‐ray diffraction (ADXRD) technologies up to ~20 GPa at room temperature. The vibrational modes of Mn at ambient pressure were comprehensively resolved based on the experimental results. Detailed spectral analyses revealed that Mn underwent three pressure‐induced phase transitions at 0.5, 2.5, and 5.7 GPa, respectively. ADXRD experiments confirmed the existence of these three phase transitions in Raman and infrared spectra analyses. Based on the analysis of the vibrational spectra and the changes of lattice parameters under pressure, it can be considered that the deformation of the 3‐hydrazino‐4‐amino‐1, 2, 4‐triazole (HATr) ligand led to the first phase transition, and the distortion of the triazole ring induced the second phase transition, and the rearrangement of the hydrogen bonds resulted in the third phase transition. In addition, it can be inferred from Raman spectra and ADXRD data that Mn may have experienced the abnormal expansion during the first phase transition. This work may lay the foundation for further investigating the structure and properties of energetic coordination complexes under pressure.

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Raman and synchrotron X‐ray diffraction studies of 4‐azidobenzoic acid under high pressures

Cited by 2 publications

References 27 publications

Raman and Synchrotron X-ray Diffraction Studies of Cd₂(C₂H₆N₆)₄(NO₃)·4H₂O under High Pressures

Raman and Synchrotron X-ray Diffraction Studies of Cd₂(C₂H₆N₆)₄(NO₃)·4H₂O under High Pressures

High‐pressure studies of Mn₂(C₂H₆N₆)₄(NO₃)₄·2H₂O by Raman scattering, infrared absorption, and synchrotron X‐ray diffraction

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Raman and synchrotron X‐ray diffraction studies of 4‐azidobenzoic acid under high pressures

Cited by 2 publications

References 27 publications

Raman and Synchrotron X-ray Diffraction Studies of Cd2(C2H6N6)4(NO3)·4H2O under High Pressures

Raman and Synchrotron X-ray Diffraction Studies of Cd2(C2H6N6)4(NO3)·4H2O under High Pressures

High‐pressure studies of Mn2(C2H6N6)4(NO3)4·2H2O by Raman scattering, infrared absorption, and synchrotron X‐ray diffraction

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Product

Resources

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Raman and Synchrotron X-ray Diffraction Studies of Cd₂(C₂H₆N₆)₄(NO₃)·4H₂O under High Pressures

Raman and Synchrotron X-ray Diffraction Studies of Cd₂(C₂H₆N₆)₄(NO₃)·4H₂O under High Pressures

High‐pressure studies of Mn₂(C₂H₆N₆)₄(NO₃)₄·2H₂O by Raman scattering, infrared absorption, and synchrotron X‐ray diffraction