Comparative Thermal Research on Energetic Molecular Perovskite Structures

Jing Zhou; Junlin Zhang; Shaoli Chen; Fengqi Zhao; Lili Qiu; Zihui Meng; Li Ding; Bozhou Wang; Qing Pan

doi:10.3390/molecules27030805

Comparative Thermal Research on Energetic Molecular Perovskite Structures

Jing Zhou
, Junlin Zhang^*
, Shaoli Chen
, Fengqi Zhao
, Lili Qiu^*
, Zihui Meng
, Li Ding
, Bozhou Wang^*
, Qing Pan

^*Corresponding author for this work

Xi'an Modern Chemistry Research Institute
Beijing Institute of Technology

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

Molecular perovskites are promising practicable energetic materials with easy access and outstanding performances. Herein, we reported the first comparative thermal research on energetic molecular perovskite structures of (C₆H₁₄N₂ )[NH₄ (ClO₄ )₃ ], (C₆H₁₄N₂ )[Na(ClO₄ )₃ ], and (C₆H₁₄ON₂ )[NH₄ (ClO₄ )₃ ] through both calculation and experimental methods with different heating rates such as 2, 5, 10, and 20^◦C/min. The peak temperature of thermal decompositions of (C₆H₁₄ON₂ )[NH₄ (ClO₄ )₃ ] and (C₆H₁₄N₂ ) [Na(ClO₄ )₃] were 384 and 354^◦C at the heating rate of 10^◦C/min, which are lower than that of (C₆H₁₄N₂ )[NH₄(ClO₄ )₃ ] (401^◦C). The choice of organic component with larger molecular volume, as well as the replacement of ammonium cation by alkali cation weakened the cubic cage skeletons; meanwhile, corresponding kinetic parameters were calcu-lated with thermokinetics software. The synergistic catalysis thermal decomposition mechanisms of the molecular perovskites were also investigated based on condensed-phase thermolysis/Fourier-transform infrared spectroscopy method and DSC-TG-FTIR-MS quadruple technology at different temperatures.

Original language	English
Article number	805
Journal	Molecules
Volume	27
Issue number	3
DOIs	https://doi.org/10.3390/molecules27030805
Publication status	Published - 1 Feb 2022
Externally published	Yes

Keywords

Confined effect
DSC-TG-FTIR-MS quadruple technology
Decomposition mechanisms
Molecular perovskites
Thermal research

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10.3390/molecules27030805

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title = "Comparative Thermal Research on Energetic Molecular Perovskite Structures",

abstract = "Molecular perovskites are promising practicable energetic materials with easy access and outstanding performances. Herein, we reported the first comparative thermal research on energetic molecular perovskite structures of (C6H14N2 )[NH4 (ClO4 )3 ], (C6H14N2 )[Na(ClO4 )3 ], and (C6H14ON2 )[NH4 (ClO4 )3 ] through both calculation and experimental methods with different heating rates such as 2, 5, 10, and 20◦C/min. The peak temperature of thermal decompositions of (C6H14ON2 )[NH4 (ClO4 )3 ] and (C6H14N2 ) [Na(ClO4 )3] were 384 and 354◦C at the heating rate of 10◦C/min, which are lower than that of (C6H14N2 )[NH4(ClO4 )3 ] (401◦C). The choice of organic component with larger molecular volume, as well as the replacement of ammonium cation by alkali cation weakened the cubic cage skeletons; meanwhile, corresponding kinetic parameters were calcu-lated with thermokinetics software. The synergistic catalysis thermal decomposition mechanisms of the molecular perovskites were also investigated based on condensed-phase thermolysis/Fourier-transform infrared spectroscopy method and DSC-TG-FTIR-MS quadruple technology at different temperatures.",

keywords = "Confined effect, DSC-TG-FTIR-MS quadruple technology, Decomposition mechanisms, Molecular perovskites, Thermal research",

author = "Jing Zhou and Junlin Zhang and Shaoli Chen and Fengqi Zhao and Lili Qiu and Zihui Meng and Li Ding and Bozhou Wang and Qing Pan",

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AU - Zhou, Jing

AU - Zhang, Junlin

AU - Chen, Shaoli

AU - Zhao, Fengqi

AU - Qiu, Lili

AU - Meng, Zihui

AU - Ding, Li

AU - Wang, Bozhou

AU - Pan, Qing

PY - 2022/2/1

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N2 - Molecular perovskites are promising practicable energetic materials with easy access and outstanding performances. Herein, we reported the first comparative thermal research on energetic molecular perovskite structures of (C6H14N2 )[NH4 (ClO4 )3 ], (C6H14N2 )[Na(ClO4 )3 ], and (C6H14ON2 )[NH4 (ClO4 )3 ] through both calculation and experimental methods with different heating rates such as 2, 5, 10, and 20◦C/min. The peak temperature of thermal decompositions of (C6H14ON2 )[NH4 (ClO4 )3 ] and (C6H14N2 ) [Na(ClO4 )3] were 384 and 354◦C at the heating rate of 10◦C/min, which are lower than that of (C6H14N2 )[NH4(ClO4 )3 ] (401◦C). The choice of organic component with larger molecular volume, as well as the replacement of ammonium cation by alkali cation weakened the cubic cage skeletons; meanwhile, corresponding kinetic parameters were calcu-lated with thermokinetics software. The synergistic catalysis thermal decomposition mechanisms of the molecular perovskites were also investigated based on condensed-phase thermolysis/Fourier-transform infrared spectroscopy method and DSC-TG-FTIR-MS quadruple technology at different temperatures.

AB - Molecular perovskites are promising practicable energetic materials with easy access and outstanding performances. Herein, we reported the first comparative thermal research on energetic molecular perovskite structures of (C6H14N2 )[NH4 (ClO4 )3 ], (C6H14N2 )[Na(ClO4 )3 ], and (C6H14ON2 )[NH4 (ClO4 )3 ] through both calculation and experimental methods with different heating rates such as 2, 5, 10, and 20◦C/min. The peak temperature of thermal decompositions of (C6H14ON2 )[NH4 (ClO4 )3 ] and (C6H14N2 ) [Na(ClO4 )3] were 384 and 354◦C at the heating rate of 10◦C/min, which are lower than that of (C6H14N2 )[NH4(ClO4 )3 ] (401◦C). The choice of organic component with larger molecular volume, as well as the replacement of ammonium cation by alkali cation weakened the cubic cage skeletons; meanwhile, corresponding kinetic parameters were calcu-lated with thermokinetics software. The synergistic catalysis thermal decomposition mechanisms of the molecular perovskites were also investigated based on condensed-phase thermolysis/Fourier-transform infrared spectroscopy method and DSC-TG-FTIR-MS quadruple technology at different temperatures.

KW - Confined effect

KW - DSC-TG-FTIR-MS quadruple technology

KW - Decomposition mechanisms

KW - Molecular perovskites

KW - Thermal research

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DO - 10.3390/molecules27030805

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SN - 1420-3049

VL - 27

JO - Molecules

JF - Molecules

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M1 - 805

ER -

Comparative Thermal Research on Energetic Molecular Perovskite Structures

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Keywords

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