Enhancement of the cubic molecular hyperpolarizabilities of nickel benzendithiol by donor and acceptor groups
| Autor: | G. R. J. Williams, B. I. Craig |
|---|---|
| Rok vydání: | 1993 |
| Předmět: |
chemistry.chemical_classification
Materials science Physics and Astronomy (miscellaneous) Ligand General Engineering General Physics and Astronomy Dithiol Hyperpolarizability chemistry.chemical_element Acceptor chemistry.chemical_compound Nickel Crystallography chemistry Molecular electronic structure Molecule Inorganic compound |
| Zdroj: | Applied Physics B Photophysics and Laser Chemistry. 56:331-334 |
| ISSN: | 1432-0649 0721-7269 |
| DOI: | 10.1007/bf00325225 |
| Popis: | In this paper the enhancement of the values of the cubic molecular hyperpolarizability γ of the nickel benzendithiol system, resulting from the selective addition of acceptor and donor groups to the ligand structure, is presented. The polarization of the molecular electronic structure is calculated by the finite field method. Significant increases in the values of γ are obtained from bridging two p-nitroaniline molecules with the square planar nickel structure. These results show that structures with significant values of x (2) that are derived from the inclusion of donor and acceptor groups might also be included into the ligands of the nickel dithiolene complex to give rise to materials with enhanced values of x (3). |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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