Theoretical study on the electronic spectrum and the origin of remarkably large third-order nonlinear optical properties of organoimide derivatives of hexamolybdates

Article Abstract:

The electronic spectrum and the third-order nonlinear optical properties of the organoimide derivatives of hexamolybdates and the elucidated structure-property relationship from the micromechanism are investigated. It shows that the accurate electronic absorption spectrum of organoimide derivatives of hexamolybdates is achieved by using gradient-regulated connection potential (GRAC).

Science & research, Research, Usage, Nonlinear optics, Report

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Density functional theory study on the first hyperpolarizabilities of organoimido derivatives of hexamolybdates

Article Abstract:

A study to investigate the first hyperpolarizabilities and origin of nonlinear optical (NLO) properties of arylimido molybdate derivatives by density functional theory was performed. The investigations from the study provided an important insight on NLO origin of polyanion arylimido molybdate derivatives and reveal the origin of NLO properties of the family of cluster of compounds.

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Excited state behaviors of the dodecamolybdocerate (IV) anion: (NH4)6H2(CeMo12O42).9H2O)

Article Abstract:

The dodecamolybdocerate (IV) anion, (NH4)6H2(CeMo12O42).9H2O) is synthesized and its Ce(111) form is obtained by exhaustive electrochemical reduction. Both forms are fairly stable in pH 0.0 media but the stability decreases when the pH increases.

Excited state chemistry, Electron configuration, Structure, Electrochemical reactions

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