A new trinuclear Cd(II)-based coordination polymer with Salen ligand building blocks: Synthesis, crystallographic aspects, and optimistic photosensitive Schottky barrier diode behaviour

Majumdar, D and Roy, S and Dey, A and Sutradhar, D (2023) A new trinuclear Cd(II)-based coordination polymer with Salen ligand building blocks: Synthesis, crystallographic aspects, and optimistic photosensitive Schottky barrier diode behaviour. In: Journal of Molecular Structure, 1294 .

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Abstract

A new X-ray-characterized Cd(II)-based coordination polymer has been synthesized using Salen ligand (H2L1) and dicyanamide ion (dca) [N(CN)2]−, and characterized using elemental analysis, spectroscopy, SEM/EDX, TEM, and powder X-ray diffraction techniques. According to SCXRD, the complex crystallizes in the triclinic space group P-1. The asymmetric unit includes de-protonated ligands [L]2−, Cd(II) centres, and dca ions. The complex binuclear parts are connected by two μ1,5-dca bridges, resulting in the creation of a one-dimensional coordination polymer [(L1Cd)2(μ1,5-dca)2Cd]n. The polymer undergoes supramolecular aggregation via hydrogen bonding, C[sbnd]H···π(dca), and C[sbnd]H···π(arene) interactions. Hirshfeld surfaces (HS) and 2D fingerprint plots have been deployed to visualize the supramolecular interactions. The analysis shows that N…H interactions (18.2%) are more common in the crystal packing than Cd···O/O···H. This complex displays electrical conductivity and photosensitivity properties, making it a promising material for optoelectronic applications. Experimental and DFT studies have confirmed that it is a direct semiconductor with a specific optical band gap (3.54 eV) and is also used to construct a photosensitive Schottky barrier diode (SBD). The DFT calculated optical conductivity was used to analyse how the material's conductivity changes upon illumination. Due to the photon absorption, the material's electrical conductivity and photoconductivity change were concomitantly observed. Finally, the DOS analysis explains the complex's conductivity behaviour in a better logistic way. © 2023 Elsevier B.V.

Item Type:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier B.V.
Additional Information:	The copyright for this article belongs to the Elsevier B.V.
Keywords:	Cadmium compounds; Chelation; Electric conductivity; Hydrogen bonds; Ligands; Light sensitive materials; Photosensitivity; Schottky barrier diodes, Cd(II); Coordination Polymers; Coordination-polymers; Dicyanamide; Electrical conductivity; Photosensitive schottky barrier diode; Salen; Salen ligands; Supramolecular interactions; Trinuclear, Energy gap
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	04 Nov 2023 03:35
Last Modified:	04 Nov 2023 03:35
URI:	https://eprints.iisc.ac.in/id/eprint/83113

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