DFT studies on thiophene acetylide Ru(II) complexes for nonlinear optics: structure-function relationships and solvent effects
Density functional theory (DFT) calculations were employed to investigate the second-order nonlinear optical (SONLO) properties of η5-monocyclopentadienylruthenium(II) thiophene acetylide complexes. From molecular structure, electronic states, and optical absorption spectra, we have studied the effe...
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| Outros Autores: | , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
2012
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| Assuntos: | |
| Texto completo: | http://hdl.handle.net/10174/5340 |
| País: | Portugal |
| Oai: | oai:dspace.uevora.pt:10174/5340 |