Optical Investigation of a Non‐Centrosymmetric Tetrachlorocobaltate (II) Hybrid, in the Presence of Two Distinct Pyridine Molecules DOI Creative Commons

Sarra Bougossa,

Najla Karâa, Ali Ben Ahmed

et al.

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(5)

Published: March 27, 2025

ABSTRACT A novel compound, (C 6 H 5 N 2 )(C 7 O)[CoCl 4 ], crystallizes in the non‐centrosymmetric space group (Cc). It displays a unique arrangement resulting from presence of two distinct monoprotonated organic molecules ) + and O) , as well isolated tetrachlorocobaltate (II). The cohesion between these inorganic edifices is ensured by hydrogen bonds π‐π interactions, which are analyzed more detail Hirshfeld surface analysis. This paper also presents experimental results FT‐IR Raman spectroscopy, discussing vibrational modes different groups present this compound. Additionally, article includes theoretical analysis using density functional theory DFT calculations. optical study, UV–Visible absorption, shows wide band gap exceeding 2.00 eV. significant β value indicates that new compound promising material for non‐linear devices. When excited with 375 nm light, system exhibits bright yellow orange emissions aggregated states, effectively serve building blocks white light. emission, located approximately saturated light region, corresponds to CIE chromaticity coordinates (0.3978, 0.4178).

Language: Английский

Optical Investigation of a Non‐Centrosymmetric Tetrachlorocobaltate (II) Hybrid, in the Presence of Two Distinct Pyridine Molecules DOI Creative Commons

Sarra Bougossa,

Najla Karâa, Ali Ben Ahmed

et al.

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(5)

Published: March 27, 2025

ABSTRACT A novel compound, (C 6 H 5 N 2 )(C 7 O)[CoCl 4 ], crystallizes in the non‐centrosymmetric space group (Cc). It displays a unique arrangement resulting from presence of two distinct monoprotonated organic molecules ) + and O) , as well isolated tetrachlorocobaltate (II). The cohesion between these inorganic edifices is ensured by hydrogen bonds π‐π interactions, which are analyzed more detail Hirshfeld surface analysis. This paper also presents experimental results FT‐IR Raman spectroscopy, discussing vibrational modes different groups present this compound. Additionally, article includes theoretical analysis using density functional theory DFT calculations. optical study, UV–Visible absorption, shows wide band gap exceeding 2.00 eV. significant β value indicates that new compound promising material for non‐linear devices. When excited with 375 nm light, system exhibits bright yellow orange emissions aggregated states, effectively serve building blocks white light. emission, located approximately saturated light region, corresponds to CIE chromaticity coordinates (0.3978, 0.4178).

Language: Английский

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