Spectroscopic and computational studies on the coordination-driven self-assembly complexes (ZnL)2 and (NiL)2 [L= bis(2,4-dimethyldipyrrin-3-yl)methane]

Article Abstract:

The ground and excited states of self-assembled dinuclear dimeric helicates (ZnL)2 and (NiL)2 [L= bis(2,4-dimethyldipyrrin-3-yl)methane] is investigated using Fourier Transform (FT)-infrared (IR), FT-Raman and electronic absorption spectroscopies in conjunction with density functional theory (DFT) calculations. Results reveal that enlarging the basis set used in the DFT calculations results in an obvious alteration of the calculated bond lengths but negligible alteration of the calculated bond angles.

Nickel Compounds, Usage, Spectra, Density functionals, Density functional theory, Fourier transform infrared spectroscopy, Zinc compounds, Helicases

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Elucidation of codoping effects on the solubility enhancement of Er(super 3+) in SiO(sub 2) glass: Striking differences between Al and P codoping

Article Abstract:

The codoping effect mechanism of Al and P on the solubility enhancement of Er(super 3+) ion in SiO(sub 2) glass is clarified by electron spin-echo envelope modulation spectroscopy. Coordination structures of Er(super 3+) ion in Al- and (Al+ P)-codoped SiO(sub 2) glasses through the analysis of pulsed-EPR electron spin-echo envelope modulation (ES-EEM) spectra are reported, which reflect the intermediate-range structure (0.3- 1 nm) around a paramagnetic center of the Er(super 3+) ion.

Silicon Dioxide, Spectrum analysis, Spectroscopy, Coordination compounds, Structure, Chemical properties

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