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

Rajaboopathi Mani, Ivo B. Rietveld, Béatrice Nicolaï, Krishnakumar Varadharajan*, Marjatta Louhi-Kultanen, Surumbarkuzhali Narasimhan

*Tämän työn vastaava kirjoittaja

Tutkimustuotos: LehtiartikkeliArticleScientificvertaisarvioitu

9 Sitaatiot (Scopus)

Abstrakti

Abstract 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...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°C, which is higher than pure CNBA (140°C) or AP (120°C). The observation of a spatially separated HOMO and LUMO possessing a narrow ΔEST = 73.3 meV and an emission in the blue region is promising as an alternative method for the production of OLED materials.

AlkuperäiskieliEnglanti
Artikkeli9349
Sivut52-61
Sivumäärä10
JulkaisuChemical Physics
Vuosikerta458
DOI - pysyväislinkit
TilaJulkaistu - 24 heinäkuuta 2015
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

Sormenjälki

Sukella tutkimusaiheisiin 'Fluorescence and physical properties of the organic salt 2-chloro-4-nitrobenzoate-3-ammonium-phenol'. Ne muodostavat yhdessä ainutlaatuisen sormenjäljen.

Siteeraa tätä