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Theoretical Modelling of Photoswitching of Hyperpolarisabilities in Ruthenium Complexes

Static excited-state polarisabilities and hyperpolarisabilities of three Ru(II) ammine complexes are computed at the density functional theory (DFT) and several correlated ab initio levels. Most accurate modelling of the low energy electronic absorption spectrum is obtained with the hybrid functiona...

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Detalles Bibliográficos
Autores principales:	Coe, Benjamin J, Avramopoulos, Aggelos, Papadopoulos, Manthos G, Pierloot, Kristine, Vancoillie, Steven, Reis, Heribert
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	WILEY-VCH Verlag 2013
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4068215/ https://www.ncbi.nlm.nih.gov/pubmed/24123546 http://dx.doi.org/10.1002/chem.201301380

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