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journal article·2025-08-04Open access

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

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

ACS Materials Letters· Volume 7· Issue 8
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Abstract

High Resolution Image Download MS PowerPoint Slide 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 ( S/R -AMOL)SnI 3 and ( S/R -AMOL)PbI 3, where S/R -AMOL stands for (2 S,2′ S )-1,1′-azanediylbis(butan-2-ol) or (2 R,2′ R )-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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Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Organic and Molecular Conductors Research · Inorganic Chemistry and Materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry and INSTM, University of Pavia, Via Taramelli 12, 27100, Pavia, Italy

Centro Grandi Strumenti, University of Pavia, Via Bassi 21, 27100, Pavia, Italy

Institute for Photonics and Nanotechnology

CNR − IFN

Department of Physics, University of Pavia, Via Bassi 6, 27100, Pavia, Italy

Center for Nano Science and Technology@PoliMi

Istituto Italiano di Tecnologia

Department of Chemistry, Biology and Biotechnology, University of Perugia, Via Elce di Sotto 8, 06123, Perugia, Italy

Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, 06123, Perugia, Italy

Chemistry Department, College of Science

King Saud University

SKKU Institute of Energy Science and Technology (SIEST)

Sungkyunkwan University

Funding

Universit? degli Studi di Pavia · Fondazione Cariplo · King Saud University · Ministero dell'Universit? e della Ricerca · Ministero dell'ambiente e della sicurezza energetica

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