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Article Dans Une Revue Chemical Physics Année : 2015

Fluorescence and physical properties of the organic salt 2-chloro-4-nitrobenzoate–3-ammonium-phenol

Résumé

Organic salt 2-chloro-4-nitrobenzoate (CNBA ) 3-ammonium-phenol (AP(+)) exhibits fluorescence at 338 nm in solution and frontier molecular orbitals generated from TDDFT calculations indicate that the ground state and the excited state are physically separated on AP+ and CNBA . The crystal structure and physical-chemical properties of the CNBA . AP(+) were investigated using X-ray single crystal and powder diffraction, SEM, FTIR, UV-Vis-NIR, and fluorescence spectrometry. X-ray diffraction demonstrates that the two molecules are linked via N+-H center dot center dot center dot O ammonium-carboxylate interactions, as expected considering their interaction propensities. Proton transfer has been confirmed by FTIR analysis. The melting point of CNBA . AP(+) was observed at 186 degrees C, which is higher than pure CNBA (140 degrees C) or AP (120 degrees C). The observation of a spatially separated HOMO and LUMO possessing a narrow Delta E-ST = 73.3 meV and an emission in the blue region is promising as an alternative method for the production of OLED materials.

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Chimie
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Dates et versions

hal-04119590 , version 1 (06-06-2023)

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Rajaboopathi Mani, Ivo B. Rietveld, Béatrice Nicolaï, Krishnakumar Varadharajan, Marjatta Louhi-Kultanen, et al.. Fluorescence and physical properties of the organic salt 2-chloro-4-nitrobenzoate–3-ammonium-phenol. Chemical Physics, 2015, 458, pp.52-61. ⟨10.1016/j.chemphys.2015.07.004⟩. ⟨hal-04119590⟩
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