Defect centers in microporous aluminum silicate materials

Article Abstract:

Research was conducted to examine the structure and energetics of formation and interconversion of defect centers in zeolites and related microporous materials. The methodology used was an ab initio periodic model based on silica sodalite. The calculations were based on a pure silica sodalite structure which has a cubic lattice with 36 atoms in its unit cell. The formation of defects into the unit cell appears to be facilitated by the presence of Bronsted acid sites and vicinal disilanols in the materials.

Silica, Aluminum silicates, Binding energy, Silicon dioxide

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The effect of ligand constraints on the metal-to-ligand charge-transfer relaxation dynamics of copper(I)-phenanthroline complexes: A comparative study by femtosecond time-resolved spectroscopy

Article Abstract:

Two geometrically constrained Cu(I)-monophennthroline complexes are investigated in order to study that ligand constraints have on the excited-state dynamics of copper-phenanthroline complexes. The conclusion states that femtosecond transient absorption spectroscopy enables o spectrally and temporally resolve the effect of ligand constraints on the flattening rearrangement dynamics in photoexcited Cu(I)-monophenanthroline complexes.

Science & research, Usage, Electric properties, Chemistry, Physical and theoretical, Physical chemistry, Copper compounds, Absorption spectra, Structure

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