Engineering the Electronic Structure and Optoelectronic Properties of Chiral Metal Halides through Cation Design

The tunability of hybrid organic-inorganic metal halides through targeted chemical design is one of their most attractive features, enabling fine control over physical properties for optoelectronic applications. In chiral systems, where chirality is introduced via organic amines, this tunability is often limited by the scarcity of suitable chiral cations. In this study, we report a family of 1D lead- and tin-based chiral hybrid halides incorporating a tailor-made cation bearing both amino and hydroxyl functional groups. This chiral ligand enables the synthesis of enantiopure (<i>S/R</i>-AMOL)-SnI<sub>3</sub> and (<i>S/R</i>-AMOL)-PbI<sub>3</sub>, where <i>S/R</i>-AMOL stands for (2<i>S</i>,2'<i>S</i>)-1,1'-azanediylbis-(butan-2-ol) or (2<i>R</i>,2'<i>R</i>)-1,1'-azanediylbis-(butan-2-ol). These compounds exhibit distinctive structural arrangements and bonding interactions, demonstrating effective chirality transfer through chiral centers bearing hydroxyl groups. Remarkably, substantial differences in the electronic structure and chiroptical properties are observed between the Sn and Pb analogues, including variations in emission characteristics, exciton binding energy, and orbital contributions to the electronic structure.

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Publication Details

Journal
ACS Materials Letters
Published
2025-07-18
DOI
https://doi.org/10.1021/acsmaterialslett.5c00666
Primary Topic
Perovskite Materials and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Engineering the Electronic Structure and Optoelectronic Properties of Chiral Metal Halides through Cation Design

Alessio Porta, Massimo Boiocchi, Doretta Capsoni, Filippo De Angelis et al.
ACS Materials Letters
Perovskite Materials and Applications
article

Engineering the Electronic Structure and Optoelectronic Properties of Chiral Metal Halides through Cation Design

Alessio Porta, Massimo Boiocchi, Doretta Capsoni, Filippo De Angelis, Annamaria Petrozza, Marco Moroni, Clarissa Coccia, Edoardo Mosconi, Giulia Folpini, Luca Gregori, Marta Morana, M. Patrini, Lorenzo Malavasi, Andera Olivati
article en

Abstract

The tunability of hybrid organic-inorganic metal halides through targeted chemical design is one of their most attractive features, enabling fine control over physical properties for optoelectronic applications. In chiral systems, where chirality is introduced via organic amines, this tunability is often limited by the scarcity of suitable chiral cations. In this study, we report a family of 1D lead- and tin-based chiral hybrid halides incorporating a tailor-made cation bearing both amino and hydroxyl functional groups. This chiral ligand enables the synthesis of enantiopure (<i>S/R</i>-AMOL)-SnI<sub>3</sub> and (<i>S/R</i>-AMOL)-PbI<sub>3</sub>, where <i>S/R</i>-AMOL stands for (2<i>S</i>,2'<i>S</i>)-1,1'-azanediylbis-(butan-2-ol) or (2<i>R</i>,2'<i>R</i>)-1,1'-azanediylbis-(butan-2-ol). These compounds exhibit distinctive structural arrangements and bonding interactions, demonstrating effective chirality transfer through chiral centers bearing hydroxyl groups. Remarkably, substantial differences in the electronic structure and chiroptical properties are observed between the Sn and Pb analogues, including variations in emission characteristics, exciton binding energy, and orbital contributions to the electronic structure.

ACS Materials LettersVol. 7(8)
University of Pavia (IT), University of Perugia (IT), King Saud University (SA), Italian Institute of Technology (IT), Istituto di Fisiologia Clinica (IT), Institute of Nanotechnology (GB), Center for Nano Science and Technology (IT), Center for Biomolecular Nanotechnologies (IT), National Interuniversity Consortium of Materials Science and Technology (IT), Sungkyunkwan University (KR)
King Saud University, Fondazione Cariplo, Università degli Studi di Pavia, Ministero dell'Ambiente e della Tutela del Territorio e del Mare, Ministero dell'Università e della Ricerca
Affordable and clean energy
Openalex Percentile: Top 82%
Perovskite Materials and Applications
DOIOpen Access PDFOpenAlex
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