Spectral-Fluorescence Properties of Zn(II)-Octaphenyltetraazaporphyrins
| Autor: | Nugzar Zh. Mamardashvili, Olga A. Dmitrieva, Alexey I. Rusanov, Natalya V. Chizhova, Mikhail O. Koifman |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Sociology and Political Science
010405 organic chemistry Clinical Biochemistry chemistry.chemical_element Zinc Time-dependent density functional theory 010402 general chemistry 01 natural sciences Biochemistry Fluorescence 0104 chemical sciences Clinical Psychology chemistry Physical chemistry Molecular orbital Density functional theory Spectroscopy Law HOMO/LUMO Social Sciences (miscellaneous) Basis set |
| Zdroj: | Journal of Fluorescence. 30:657-664 |
| ISSN: | 1573-4994 1053-0509 |
| DOI: | 10.1007/s10895-020-02530-1 |
| Popis: | Zn(II)-octa-(4-chlorophenyl)- and Zn(II)-octa-(4-bromophenyl)tetraazaporphyrins were synthesized by the reaction of cyclotetramerization of di-(4-chlorophenyl)- and di-(4-bromophenyl)maleonitriles with zinc(II) chloride. The obtained compounds were identified by UV-vis, IR, NMR 1H spectroscopy and mass spectrometry. Geometry optimization of the series of halogenated Zn(II)-octaaryltetraazaporphyrins was performed using the density functional method with the BP86 functional and the def2-TZVP basis set. An analysis of the distribution of molecular orbital energies in the neighborhood of highest occupied molecular orbitals (HOMO and HOMO-1) and lowest unoccupied molecular orbitals (LUMO and LUMO+1) and the width of the HOMO - LUMO energy gaps (EH-L) was performed for the studied compounds. Fluorimetric measurements of the Zn(II)-octaphenyltetraazaporphyrins in toluene were carried out and fluorescence quantum yields of studied compounds were determined and analyzed. It has been shown that the halogen on the para-position of the phenyl groups significantly affects the value of the obtained quantum yields of fluorescence emission but does not significantly affect the Stokes shifts. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full text from SpringerLink