Structural characteristics for phase transitions of [N(CH3)4]2CuCl4 by 13C CP/MAS NMR and 14N NMR

Kim, Nam Hee; Lim, Ae Ran

doi:10.1016/j.ssnmr.2015.06.002

Solid State Nuclear Magnetic Resonance

2015

DOI: 10.1016/j.ssnmr.2015.06.002

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Structural characteristics for phase transitions of [N(CH3)4]2CuCl4 by 13C CP/MAS NMR and 14N NMR

Nam Hee Kim

Ae Ran Lim

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Cited by 3 publications

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Phase transitions in (C₇H₁₂N₂)₂[SnCl₆]Cl₂·1.5H₂O crystal, studied by NMR and infrared spectroscopy

Hajji

Hlel

2019

Magnetic Reson in Chemistry

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The (C 7 H 12 N 2 ) 2 [SnCl 6 ]Cl 2 ·1.5H 2 O complex is a new member of the family of hybrid organic-inorganic perovskite compounds. It exhibits two orderdisorder phase transitions with changes in the conformation of aromatic cations at the two transition temperatures 360 and 412 K. Differential scanning calorimetry, nuclear magnetic resonance (NMR), and Fourier-transform infrared (FT-IR) spectroscopy were used to investigate these phase transitions. These transition mechanisms were investigated in terms of the spin-lattice relaxation times T1 for 1 H static NMR and the chemical shifts for 13 C CP-MAS. The temperature dependence of T1( 1 H) and 13 C chemical shifts are changed near T C1 and T C2 . Furthermore, the splitting for 13 C NMR signals in Phases (II) and (III) indicated a ferroelastic characteristic of the compound. In addition, FT-IR results indicate that the ordered conformational structure of aromatic cations undergoes a remarkable disorder with increasing temperature. The NMR and FT-IR studies suggest that the phase transition mechanisms are related to the reorientational motion of [C 7 H 12 N 2 ] 2+ cations as a whole. Phase transition was examined in light of the interesting optical properties of this material.

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Phase transitions in (C₇H₁₂N₂)₂[SnCl₆]Cl₂·1.5H₂O crystal, studied by NMR and infrared spectroscopy

Hajji

Hlel

2019

Magnetic Reson in Chemistry

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Structural changes near phase transition temperatures for the [N(C2H5)4] groups in hydrated [N(C2H5)4]2CuCl4·xH2O

Lim

2017

J Therm Anal Calorim

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Crystal structure, structural geometry, and molecular motion of organic–inorganic perovskite [N(CH3)4]2MnCl4 crystals at phases I, II, and III

Lim

2024

Sci Rep

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Various aspects of the new development of organic-inorganic hybrid [N(CH 3 ) 4 ] 2 MnCl 4 single crystals have been discussed. The phase transition temperatures were determined to be 268 K (T C2 ) and 291 K (T C1 ), and the thermodynamic stability was maintained at temperatures up to 669 K. The crystal structures at 250 K (phase III), 275 K (phase II), and 300 K (phase I) are monoclinic, orthorhombic, and orthorhombic, respectively. Notably, while the 1 H and 13 C chemical shifts gradually changed near T C1 and T C2 , the 14 N resonance frequency exhibited a split in the number of signals near T C1 . Furthermore, the shorter spin-lattice relaxation time T 1ρ of 1 H than that of 13 C suggests facile energy transfer for 1 H. Additionally, analysing the temperature dependencies of T 1ρ for 13 C revealed that the activation energy E a in phase I is approximately five times greater than those in phases III and II. The high E a observed in phase I primarily stems from the collective motion of the N(CH 3 ) 4 group, which contrasts with the considerable freedom observed for the CH 3 group in phases III and II. These distinctive physical properties suggest potential applications for [N(CH 3 ) 4 ] 2 MnCl 4 as an organic‒inorganic hybrid material. Supplementary Information The online version contains supplementary material available at 10.1038/s41598-024-78376-5.

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Structural characteristics for phase transitions of [N(CH3)4]2CuCl4 by 13C CP/MAS NMR and 14N NMR

Cited by 3 publications

References 26 publications

Phase transitions in (C₇H₁₂N₂)₂[SnCl₆]Cl₂·1.5H₂O crystal, studied by NMR and infrared spectroscopy

Phase transitions in (C₇H₁₂N₂)₂[SnCl₆]Cl₂·1.5H₂O crystal, studied by NMR and infrared spectroscopy

Structural changes near phase transition temperatures for the [N(C2H5)4] groups in hydrated [N(C2H5)4]2CuCl4·xH2O

Crystal structure, structural geometry, and molecular motion of organic–inorganic perovskite [N(CH3)4]2MnCl4 crystals at phases I, II, and III

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Structural characteristics for phase transitions of [N(CH3)4]2CuCl4 by 13C CP/MAS NMR and 14N NMR

Cited by 3 publications

References 26 publications

Phase transitions in (C7H12N2)2[SnCl6]Cl2·1.5H2O crystal, studied by NMR and infrared spectroscopy

Phase transitions in (C7H12N2)2[SnCl6]Cl2·1.5H2O crystal, studied by NMR and infrared spectroscopy

Structural changes near phase transition temperatures for the [N(C2H5)4] groups in hydrated [N(C2H5)4]2CuCl4·xH2O

Crystal structure, structural geometry, and molecular motion of organic–inorganic perovskite [N(CH3)4]2MnCl4 crystals at phases I, II, and III

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Phase transitions in (C₇H₁₂N₂)₂[SnCl₆]Cl₂·1.5H₂O crystal, studied by NMR and infrared spectroscopy

Phase transitions in (C₇H₁₂N₂)₂[SnCl₆]Cl₂·1.5H₂O crystal, studied by NMR and infrared spectroscopy