DataVXACS Materials LettersPaper
journal article·2023-06-05

Unique Chiro-optical Properties of the Weakly-2D (R-/S-MBA)2CuBr4 Hybrid Material

Ranjan Das, Modasser Hossain, Arup Mahata, Diptikanta Swain, Filippo De Angelis, Pralay K. Santra, D. D. Sarma

ACS Materials Letters· Volume 5· Issue 6
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Source abstract

Abstract

We establish that the formally 0D (R-/S-MBA) 2 CuBr 4, containing R-/S-α-methyl benzylamine (R-/S-MBA) connected to highly distorted CuBr 4 tetrahedral units in alternating layers, possesses extraordinary chiro-optical properties. The concentration and path length-independent chiral anisotropy factor, g CD, for this compound is the highest in the orange-red part of the visible spectrum reported so far from any hybrid material, arising from a chirality transfer from the organic component to the inorganic layer through the extensive asymmetric hydrogen bonding network and electronic coupling, driving the CuBr 4 tetrahedral units to follow the 2 1 -screw axis. This sensitivity in the orange-red part of the visible spectrum is achieved by incorporating bromine in the copper coordination sphere, which significantly red-shifts the band edge absorption to ∼710 nm compared to ∼490 nm reported for the chloride analogue. DFT/TDDFT calculations allow us to understand the underlying electronic structure responsible for its remarkable optical properties. We find that this compound gets a partial 2D character, crucial for its broadband chiro-optical properties, arising from Cu–Br···Br–Cu interactions connecting the otherwise isolated CuBr 4 units.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Perovskite Materials and Applications · Luminescence and Fluorescent Materials · Metal-Organic Frameworks: Synthesis and Applications

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

Affiliations

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, India

Centre for Nano and Soft Matter Sciences (CeNS), Bengaluru 562162, India

Manipal Academy of Higher Education (MAHE), Manipal 576104, India

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

Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502285, India

Institute of Chemical Technology-IndianOil Odisha Campus, Bhubaneswar 751013, India

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

Department of Natural Sciences & Mathematics, College of Sciences & Human Studies, Prince Mohammad Bin Fahd University, P.O. Box 1664, Al Khobar 31952, Kingdom of Saudi Arabia

Funding

Council of Scientific and Industrial Research, India · Science and Engineering Research Board · Ministero dell?Istruzione, dell?Universit? e della Ricerca · Indian Institute of Science · H2020 Energy · Universit? degli Studi di Perugia · Tata Trusts · Department of Science and Technology, Ministry of Science and Technology, India

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