Direct investigation of the reorientational dynamics of A-site cations in 2D organic-inorganic hybrid perovskite by solid-state NMR

Cheng Chieh Lin; Shing Jong Huang; Pei Hao Wu; Tzu Pei Chen; Chih Ying Huang; Ying Chiao Wang; Po Tuan Chen; Denitsa Radeva; Ognyan Petrov; Vladimir M. Gelev; Raman Sankar; Chia Chun Chen; Chun Wei Chen; Tsyr Yan Yu

doi:10.1038/s41467-022-29207-6

Direct investigation of the reorientational dynamics of A-site cations in 2D organic-inorganic hybrid perovskite by solid-state NMR

Cheng Chieh Lin, Shing Jong Huang, Pei Hao Wu, Tzu Pei Chen, Chih Ying Huang, Ying Chiao Wang, Po Tuan Chen, Denitsa Radeva, Ognyan Petrov, Vladimir M. Gelev, Raman Sankar, Chia Chun Chen, Chun Wei Chen^*, Tsyr Yan Yu^*

^*Corresponding author for this work

Department of Chemistry

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

9 Citations (Scopus)

Abstract

Limited methods are available for investigating the reorientational dynamics of A-site cations in two-dimensional organic–inorganic hybrid perovskites (2D OIHPs), which play a pivotal role in determining their physical properties. Here, we describe an approach to study the dynamics of A-site cations using solid-state NMR and stable isotope labelling. ²H NMR of 2D OIHPs incorporating methyl-d₃-ammonium cations (d₃-MA) reveals the existence of multiple modes of reorientational motions of MA. Rotational-echo double resonance (REDOR) NMR of 2D OIHPs incorporating ¹⁵N- and ¹³C-labeled methylammonium cations (¹³C,¹⁵N-MA) reflects the averaged dipolar coupling between the C and N nuclei undergoing different modes of motions. Our study reveals the interplay between the A-site cation dynamics and the structural rigidity of the organic spacers, so providing a molecular-level insight into the design of 2D OIHPs.

Original language	English
Article number	1513
Journal	Nature Communications
Volume	13
Issue number	1
DOIs	https://doi.org/10.1038/s41467-022-29207-6
Publication status	Published - 2022 Dec

ASJC Scopus subject areas

General Chemistry
General Biochemistry,Genetics and Molecular Biology
General Physics and Astronomy

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Lin, C. C., Huang, S. J., Wu, P. H., Chen, T. P., Huang, C. Y., Wang, Y. C., Chen, P. T., Radeva, D., Petrov, O., Gelev, V. M., Sankar, R., Chen, C. C., Chen, C. W., & Yu, T. Y. (2022). Direct investigation of the reorientational dynamics of A-site cations in 2D organic-inorganic hybrid perovskite by solid-state NMR. Nature Communications, 13(1), Article 1513. https://doi.org/10.1038/s41467-022-29207-6

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title = "Direct investigation of the reorientational dynamics of A-site cations in 2D organic-inorganic hybrid perovskite by solid-state NMR",

abstract = "Limited methods are available for investigating the reorientational dynamics of A-site cations in two-dimensional organic–inorganic hybrid perovskites (2D OIHPs), which play a pivotal role in determining their physical properties. Here, we describe an approach to study the dynamics of A-site cations using solid-state NMR and stable isotope labelling. 2H NMR of 2D OIHPs incorporating methyl-d3-ammonium cations (d3-MA) reveals the existence of multiple modes of reorientational motions of MA. Rotational-echo double resonance (REDOR) NMR of 2D OIHPs incorporating 15N- and ¹³C-labeled methylammonium cations (13C,15N-MA) reflects the averaged dipolar coupling between the C and N nuclei undergoing different modes of motions. Our study reveals the interplay between the A-site cation dynamics and the structural rigidity of the organic spacers, so providing a molecular-level insight into the design of 2D OIHPs.",

author = "Lin, {Cheng Chieh} and Huang, {Shing Jong} and Wu, {Pei Hao} and Chen, {Tzu Pei} and Huang, {Chih Ying} and Wang, {Ying Chiao} and Chen, {Po Tuan} and Denitsa Radeva and Ognyan Petrov and Gelev, {Vladimir M.} and Raman Sankar and Chen, {Chia Chun} and Chen, {Chun Wei} and Yu, {Tsyr Yan}",

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year = "2022",

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doi = "10.1038/s41467-022-29207-6",

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journal = "Nature Communications",

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AU - Lin, Cheng Chieh

AU - Huang, Shing Jong

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AU - Chen, Tzu Pei

AU - Huang, Chih Ying

AU - Wang, Ying Chiao

AU - Chen, Po Tuan

AU - Radeva, Denitsa

AU - Petrov, Ognyan

AU - Gelev, Vladimir M.

AU - Sankar, Raman

AU - Chen, Chia Chun

AU - Chen, Chun Wei

AU - Yu, Tsyr Yan

PY - 2022/12

Y1 - 2022/12

N2 - Limited methods are available for investigating the reorientational dynamics of A-site cations in two-dimensional organic–inorganic hybrid perovskites (2D OIHPs), which play a pivotal role in determining their physical properties. Here, we describe an approach to study the dynamics of A-site cations using solid-state NMR and stable isotope labelling. 2H NMR of 2D OIHPs incorporating methyl-d3-ammonium cations (d3-MA) reveals the existence of multiple modes of reorientational motions of MA. Rotational-echo double resonance (REDOR) NMR of 2D OIHPs incorporating 15N- and ¹³C-labeled methylammonium cations (13C,15N-MA) reflects the averaged dipolar coupling between the C and N nuclei undergoing different modes of motions. Our study reveals the interplay between the A-site cation dynamics and the structural rigidity of the organic spacers, so providing a molecular-level insight into the design of 2D OIHPs.

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Direct investigation of the reorientational dynamics of A-site cations in 2D organic-inorganic hybrid perovskite by solid-state NMR

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