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

Mahata, Arup (2023) Unique Chiro-optical Properties of the Weakly-2D (R-/S-MBA)2CuBr4 Hybrid Material. ACS Materials Letters, 5 (6). pp. 1556-1564. ISSN 2639-4979

Text
acs.mat_let-5.pdf - Published Version
Download (4MB)

Abstract

We establish that the formally 0D (R-/S-MBA)2CuBr4, containing R-/S-α-methyl benzylamine (R-/S-MBA) connected to highly distorted CuBr4 tetrahedral units in alternating layers, possesses extraordinary chiro-optical properties. The concentration and path length-independent chiral anisotropy factor, gCD, 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 CuBr4 tetrahedral units to follow the 21-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 CuBr4 units.

[error in script]

IITH Creators:

IITH Creators	ORCiD
Mahata, Arup	UNSPECIFIED

Item Type:

Article

Uncontrolled Keywords:

Absorption spectroscopy; Chlorine compounds; Citrus fruits; Copper compounds; Electronic structure; Hybrid materials; Hydrogen bonds; Red Shift; Alternating layers; Anisotropy factor; Benzylamines; Chirality transfer; Chirooptical properties; Hybrids material; Orange-red; Organic components; Pathlengths; Visible spectrums; Bromine compounds

Subjects:

Chemistry
Chemistry > Physical chemistry

Divisions:

Department of Chemistry

Depositing User:

Mr Nigam Prasad Bisoyi

Date Deposited:

12 Nov 2023 11:56

Last Modified:

12 Nov 2023 11:56

URI:

http://raiithold.iith.ac.in/id/eprint/11750