Ab initio study of the structure, spectral, ionochromic, and fluorochromic properties of benzoazacrown-containing dyes as potential optical molecular sensors

International Journal of Quantum Chemistry

Volumn 111, Issue 11, 2011, Pages 2649-2662

  Freidzon, Alexandra Y ^a   Bagatur'Yants, Alexander A ^a   Ushakov, Evgeny N ^b   Gromov, Sergey P ^a   Alfimov, Michael V ^a  

^a PHOTOCHEMISTRY CENTER   (Russian Federation)

^b INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

ab initio calculations; absorption spectra; benzoazacrown containing dyes; cation recoordination; complexes with cations; excited state; fluorescence; quantum chemistry; time dependent density functional theory

Indexed keywords

AB INITIO CALCULATIONS; BENZOAZACROWN-CONTAINING DYES; CATION RECOORDINATION; COMPLEXES WITH CATIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

ABSORPTION; CALCULATIONS; CHROMOPHORES; COMPLEXATION; CROWN ETHERS; DENSITY FUNCTIONAL THEORY; EMISSION SPECTROSCOPY; ETHERS; FLUORESCENCE; GROUND STATE; LIGHT ABSORPTION; NITROGEN; POSITIVE IONS; QUANTUM CHEMISTRY; ROTATION; WAVES;

EXCITED STATES;

EID: 79955859370     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22778     Document Type: Article

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