Study of spectral properties of bis(1,10-phenanthroline) silicon hexacoordinated complexes by density functional theory

International Journal of Quantum Chemistry

Volumn 108, Issue 14, 2008, Pages 2641-2647

  Irgibaeva, Irina ^a   Aldongarov, Anuar ^a   Barashkov, Nikolay ^b   Schmedake, Thomas ^c  

^a L N GUMILYOV EURASIAN NATIONAL UNIVERSITY   (Kazakhstan)

^b Microtracers Inc   (United States)

^c UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE   (United States)

Author keywords

Charge transfer band; Hexacoordinate silicon complex; Time dependent DFT (TDDFT) method; UV vis spectra

Indexed keywords

AB INITIO; B3LYP/LANL2DZ; CHARGE TRANSFER BAND; CHARGE TRANSFER BANDS; ELECTRON TRANSFERS; ELECTRONIC ABSORPTIONS; ELECTRONIC ENERGIES; EXPERIMENTAL DATUMS; HEXACOORDINATE SILICON COMPLEX; METHANOL SOLUTIONS; PHEN LIGANDS; PHENANTHROLINE; SPECTRAL PROPERTIES; TDDFT METHODS; TIME-DEPENDENT DFT (TDDFT) METHOD; UV-VIS SPECTRA; UV-VIS SPECTRUMS;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; FORECASTING; ION EXCHANGE; MASS TRANSFER; METHANOL; NITRATES; NUCLEAR MAGNETIC RESONANCE; SILICON; SILICON COMPOUNDS; THICK FILMS;

SEMICONDUCTING SILICON COMPOUNDS;

EID: 55349109662     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21734     Document Type: Article

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