pH-Sensitive Bis(2,2':6',2\"-terpyridine)ruthenium(II) Complexes - A DFT/TDDFT Investigation of Their Spectroscopic Properties (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• pH-Sensitive Bis(2,2':6',2\"-terpyridine)ruthenium(II) Complexes - A DFT/TDDFT Investigation of Their Spectroscopic Properties (Articolo in rivista) (literal)

Anno

• 2011-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1002/ejic.201001260 (literal)

Alternative label

• Maria Grazia Lobello, [a] Simona Fantacci, [a,b] Alberto Credi, [c] and Filippo De Angelis [a] (2011)
  pH-Sensitive Bis(2,2':6',2"-terpyridine)ruthenium(II) Complexes - A DFT/TDDFT Investigation of Their Spectroscopic Properties
  in European journal of inorganic chemistry (Internet)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Maria Grazia Lobello, [a] Simona Fantacci, [a,b] Alberto Credi, [c] and Filippo De Angelis [a] (literal)

Pagina inizio

• 1605 (literal)

Pagina fine

• 1613 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://onlinelibrary.wiley.com/doi/10.1002/ejic.201001260/abstract (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 2011 (literal)

Rivista

• European journal of inorganic chemistry (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 9 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 10 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• [a] Istituto CNR di Scienze e Tecnologie Molecolari (ISTM-CNR), c/o Dipartimento di Chimica, Università di Perugia, Via elce di Sotto 8, 06213 Perugia, Italy [b] Italian Institute of Technology (IIT), Center for Biomolecular Nanotechnologies, Via Barsanti, 73010, Arnesano, Lecce, Italy [c] Dipartimento di Chimica \"G. Ciamician\", Università di Bologna, Via Selmi 2, 40126 Bologna, Italy (literal)

Titolo

• pH-Sensitive Bis(2,2':6',2\"-terpyridine)ruthenium(II) Complexes - A DFT/TDDFT Investigation of Their Spectroscopic Properties (literal)

Abstract

• We report a DFT/TDDFT study on the geometric, electronic and optical properties of [Ru{4?-(4-pyridyl)-2,2?:6?,2\"-terpyridine}2]2+. Because of the presence of the basic nitrogen atom on the terminal pyridyl ligands, in solution the complex can exist in three different protonation states depending on the pH, each with markedly different photophysical properties. We investigated the effect of protonation of the terminal pyridine groups on the electronic and optical properties of this RuII complex. TDDFT calculations in vacuo and aqueous solution were performed, finding good agreement between the simulated and the experimental absorption spectra, and reproducing the experimentally observed absorption redshift upon pyridine protonation. The calculated excited-state data provide a rationale for the luminescence properties observed by varying the solution pH, in terms of the different energy separation between MLCT and MC excited states in the complexes. (literal)

Prodotto di

• Proprietà ottiche lineari e non-lineari di sistemi complessi e materiali (PM.P07.003.005) (Modulo)
• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)

Autore CNR

• Maria Grazia Lobello (Persona)
• FILIPPO DE ANGELIS (Persona)
• SIMONA FANTACCI (Persona)

Incoming links:

Prodotto

• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)
• Proprietà ottiche lineari e non-lineari di sistemi complessi e materiali (PM.P07.003.005) (Modulo)

Autore CNR di

• FILIPPO DE ANGELIS (Persona)
• SIMONA FANTACCI (Persona)
• Maria Grazia Lobello (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• European journal of inorganic chemistry (Rivista)