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Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals

Organic–inorganic hybrid perovskites have various potential applications in fuel cells and solar cells. In this regard, the physicochemical properties of an organic–inorganic [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystal was conducted. The crystals had a monoclinic structure with space group P2(1)/n and lat...

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Autores principales: Choi, Moon Young, Lee, Seon Ju, Ju, Huiyeong, Lim, Ae Ran
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9297128/
https://www.ncbi.nlm.nih.gov/pubmed/35919167
http://dx.doi.org/10.1039/d2ra02975h
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author Choi, Moon Young
Lee, Seon Ju
Ju, Huiyeong
Lim, Ae Ran
author_facet Choi, Moon Young
Lee, Seon Ju
Ju, Huiyeong
Lim, Ae Ran
author_sort Choi, Moon Young
collection PubMed
description Organic–inorganic hybrid perovskites have various potential applications in fuel cells and solar cells. In this regard, the physicochemical properties of an organic–inorganic [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystal was conducted. The crystals had a monoclinic structure with space group P2(1)/n and lattice constants a = 7.2224 Å, b = 7.6112 Å, c = 23.3315 Å, β = 91.930°, and Z = 4 at 300 K, and the phase transition temperature (T(C)) was determined to be 363 K by X-ray diffraction and differential scanning calorimetry experiments. From the nuclear magnetic resonance experimental results, the changes in the (1)H chemical shifts in NH(3) and the influence of C1 located close to NH(3) in the [NH(3)(CH(2))(6)NH(3)] cation near T(C) are determined to be large, which implies that the structural change of CuCl(4) linked to N–H⋯Cl is large. The (1)H spin–lattice relaxation time (T(1ρ)) in NH(3) is shorter than that of CH(2), and the (13)C T(1ρ) values for C1 close to NH(3) are shorter than those of C2 and C3 due to the influence of the paramagnetic Cu(2+) ion in square planar geometry CuCl(4). The structural mechanism for the phase transition was the change in the N–H⋯Cl hydrogen bond and was associated with the structural dynamics of the CuCl(4) anion.
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spelling pubmed-92971282022-08-01 Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals Choi, Moon Young Lee, Seon Ju Ju, Huiyeong Lim, Ae Ran RSC Adv Chemistry Organic–inorganic hybrid perovskites have various potential applications in fuel cells and solar cells. In this regard, the physicochemical properties of an organic–inorganic [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystal was conducted. The crystals had a monoclinic structure with space group P2(1)/n and lattice constants a = 7.2224 Å, b = 7.6112 Å, c = 23.3315 Å, β = 91.930°, and Z = 4 at 300 K, and the phase transition temperature (T(C)) was determined to be 363 K by X-ray diffraction and differential scanning calorimetry experiments. From the nuclear magnetic resonance experimental results, the changes in the (1)H chemical shifts in NH(3) and the influence of C1 located close to NH(3) in the [NH(3)(CH(2))(6)NH(3)] cation near T(C) are determined to be large, which implies that the structural change of CuCl(4) linked to N–H⋯Cl is large. The (1)H spin–lattice relaxation time (T(1ρ)) in NH(3) is shorter than that of CH(2), and the (13)C T(1ρ) values for C1 close to NH(3) are shorter than those of C2 and C3 due to the influence of the paramagnetic Cu(2+) ion in square planar geometry CuCl(4). The structural mechanism for the phase transition was the change in the N–H⋯Cl hydrogen bond and was associated with the structural dynamics of the CuCl(4) anion. The Royal Society of Chemistry 2022-07-20 /pmc/articles/PMC9297128/ /pubmed/35919167 http://dx.doi.org/10.1039/d2ra02975h Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Choi, Moon Young
Lee, Seon Ju
Ju, Huiyeong
Lim, Ae Ran
Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals
title Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals
title_full Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals
title_fullStr Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals
title_full_unstemmed Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals
title_short Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH(3)(CH(2))(6)NH(3)]CuCl(4) crystals
title_sort phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [nh(3)(ch(2))(6)nh(3)]cucl(4) crystals
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9297128/
https://www.ncbi.nlm.nih.gov/pubmed/35919167
http://dx.doi.org/10.1039/d2ra02975h
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