Theoretical investigation of the nature of aluminum-containing species present in alkaline solution

Article Abstract:

A study was conducted to analyze the structure, energies and infrared spectra of a range of possible monomeric and dimeric aluminum-containing neutral and anionic species in alkaline sodium aluminate solutions. The optimization of all clusters began with the most symmetric geometry possible to reduce computations. Resulting zero-point energies were utilized to correct all reaction energies. Results indicated that the stability of doubly hydroxo-bridged species correlated with the concentration and dimerization of solutions.

Aluminum, Aluminum (Metal), Anions

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Atomistic modeling of gibbsite: cation incorporation

Article Abstract:

A study of the incorporation of sodium and potassium cations into the morphologically important surfaces of gibbsite was conducted. The results indicate that cation incorporation contributes to the elongation of the prismatic faces and also the formation of diamond morphologies.

Science & research, All Other Miscellaneous Nonmetallic Mineral Product Manufacturing, Crystals, Surface chemistry

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Formation of pyrene dimer radical cation at the internal site of oligodeoxynucleotides

Article Abstract:

Two Py's were incorporated at the internal site of ODN, and the formation of Py(sub 2)(super .+) was monitored by the CR band (1550 nm) in the near IR region during pulse radiolysis. The formation of the Py(sub 2)(super .+) was observed in the time ranges of ~10 mu s and ~1 ms.

Observations, Radiolysis, Oligodeoxynucleotides

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