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

摘要

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. (C) 2015 Elsevier B.V. All rights reserved.