On the origin of the very strong two-photon activity of squaraine dyes - a standard/damped response theory study (Articolo in rivista)

Type

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

Label

• On the origin of the very strong two-photon activity of squaraine dyes - a standard/damped response theory study (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

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

• 10.1039/c3cp55485f (literal)

Alternative label

• Alam, Md. Mehboob; Chattopadhyaya, Mausumi; Chakrabarti, Swapan; Rizzo, Antonio (2014)
  On the origin of the very strong two-photon activity of squaraine dyes - a standard/damped response theory study
  in PCCP. Physical chemistry chemical physics (Print)
  (literal)

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

• Alam, Md. Mehboob; Chattopadhyaya, Mausumi; Chakrabarti, Swapan; Rizzo, Antonio (literal)

Pagina inizio

• 8030 (literal)

Pagina fine

• 8035 (literal)

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

• http://pubs.rsc.org/en/content/articlelanding/2014/cp/c3cp55485f#!divAbstract (literal)

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

• 16 (literal)

Rivista

• PCCP. Physical chemistry chemical physics (Rivista)

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

• 6 (literal)

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

• 17 (literal)

Note

• ISI Web of Science (WOS) (literal)
• Scopu (literal)

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

• University of Calcutta; Consiglio Nazionale delle Ricerche (CNR) (literal)

Titolo

• On the origin of the very strong two-photon activity of squaraine dyes - a standard/damped response theory study (literal)

Abstract

• the present work, we report the mechanism of a very large increase in the two-photon (TP) activity of squaraine based molecules upon changing the substituents. The replacement of a specific fused ring by ethylene or ethyne moieties enhances the TP transition strength of these molecules up to the order of 10(13) au (similar to 10(10) GM), both in the gas phase as well as in dichloromethane solvent. Our calculations decisively establish that the reason for this large enhancement in the TP activity of the studied systems is the severe decrease in the corresponding detuning energies. We explain this fact using damped response theory calculations and provide a novel design strategy to control the detuning energy of such molecules. The results are benchmarked against the available experimental findings. (literal)

Prodotto di

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Approccio teorico-computazionale per lo studio delle proprietà spettroscopiche di molecole, aggregati e materiali. (MD.P01.026.007) (Modulo)

Autore CNR

• ANTONIO RIZZO (Persona)

Incoming links:

Prodotto

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Approccio teorico-computazionale per lo studio delle proprietà spettroscopiche di molecole, aggregati e materiali. (MD.P01.026.007) (Modulo)

Autore CNR di

• ANTONIO RIZZO (Persona)

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

• PCCP. Physical chemistry chemical physics (Rivista)