Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics

Abstract Understanding the physical properties of the organic–inorganic hybrid [NH2(CH3)2]2CuBr4 is essential to expand its applications. The single [NH2(CH3)2]2CuBr4 crystals were grown and their comprehensive properties were investigated. The crystals had a monoclinic structure with the space grou...

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Main Authors: Changyub Na, Ae Ran Lim
Format: Article
Language:English
Published: Nature Portfolio 2023-11-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-48015-6
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author Changyub Na
Ae Ran Lim
author_facet Changyub Na
Ae Ran Lim
author_sort Changyub Na
collection DOAJ
description Abstract Understanding the physical properties of the organic–inorganic hybrid [NH2(CH3)2]2CuBr4 is essential to expand its applications. The single [NH2(CH3)2]2CuBr4 crystals were grown and their comprehensive properties were investigated. The crystals had a monoclinic structure with the space group P2 1 /n and lattice constants of a = 8.8651 (5) Å, b = 11.9938 (6) Å, c = 13.3559 (7) Å, and β = 91.322°. The transition temperature from phase I to phase II was determined to be 388 K. Variations in the 1H nuclear magnetic resonance chemical shifts of NH2 and 14N NMR chemical shifts according to the temperature changes in the cation were attributed to vibrations of NH2 groups at their localization sites. The 1H and 13C spin–lattice relaxation times (T1ρ) in phase II changed significantly with temperature, indicating that these values are governed by molecular motion. The T1ρ values were much longer in phase I than in phase II, which means energy transfer was difficult. Finally, the activation energies for phases I and II were considered. According to the basic mechanism of [NH2(CH3)2]2CuBr4 crystals, organic–inorganic materials may have potential applications in various fields.
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spelling doaj.art-0117ad4054554ad39c546312e0d1df932023-12-03T12:19:10ZengNature PortfolioScientific Reports2045-23222023-11-0113111010.1038/s41598-023-48015-6Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamicsChangyub Na0Ae Ran Lim1Graduate School of Carbon Convergence Engineering, Jeonju UniversityGraduate School of Carbon Convergence Engineering, Jeonju UniversityAbstract Understanding the physical properties of the organic–inorganic hybrid [NH2(CH3)2]2CuBr4 is essential to expand its applications. The single [NH2(CH3)2]2CuBr4 crystals were grown and their comprehensive properties were investigated. The crystals had a monoclinic structure with the space group P2 1 /n and lattice constants of a = 8.8651 (5) Å, b = 11.9938 (6) Å, c = 13.3559 (7) Å, and β = 91.322°. The transition temperature from phase I to phase II was determined to be 388 K. Variations in the 1H nuclear magnetic resonance chemical shifts of NH2 and 14N NMR chemical shifts according to the temperature changes in the cation were attributed to vibrations of NH2 groups at their localization sites. The 1H and 13C spin–lattice relaxation times (T1ρ) in phase II changed significantly with temperature, indicating that these values are governed by molecular motion. The T1ρ values were much longer in phase I than in phase II, which means energy transfer was difficult. Finally, the activation energies for phases I and II were considered. According to the basic mechanism of [NH2(CH3)2]2CuBr4 crystals, organic–inorganic materials may have potential applications in various fields.https://doi.org/10.1038/s41598-023-48015-6
spellingShingle Changyub Na
Ae Ran Lim
Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics
Scientific Reports
title Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics
title_full Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics
title_fullStr Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics
title_full_unstemmed Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics
title_short Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics
title_sort investigation on the organic inorganic hybrid crystal nh2 ch3 2 2cubr4 structure phase transition thermal property structural geometry and dynamics
url https://doi.org/10.1038/s41598-023-48015-6
work_keys_str_mv AT changyubna investigationontheorganicinorganichybridcrystalnh2ch322cubr4structurephasetransitionthermalpropertystructuralgeometryanddynamics
AT aeranlim investigationontheorganicinorganichybridcrystalnh2ch322cubr4structurephasetransitionthermalpropertystructuralgeometryanddynamics