Change search
ReferencesLink to record
Permanent link

Direct link
Two-Photon Solvatochromism II: Experimental and Theoretical Study of Solvent Effects on the Two-Photon Absorption Spectrum of Reichardt's Dye
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0003-0185-5724
Show others and affiliations
2013 (English)In: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 14, no 16, 3731-3739 p.Article in journal (Refereed) Published
Abstract [en]

In this study, we report on the influence of solvent on the two-photon absorption (2PA) spectra of Reichardt's dye (RD). The measurement of 2PA cross-sections is performed for three solvents (chloroform, dimethyl formamide, and dimethyl sulfoxide) using the Z-scan technique. The key finding of this study is the observation that the cross-section, corresponding to the 2PA of the intramolecular charge-transfer state, diminishes substantially upon increasing the solvent polarity. To unravel the solvent dependence of the 2PA cross-section, the electronic structure of RD is determined using a hybrid quantum mechanics/molecular mechanics (QM/MM) approach, in which polarization between the solute and solvent is taken into account by using a self-consistent scheme in the solvent polarization. The two-state approximation proves to be adequate for the studied system, and allowed the observed solvent-polarity-induced decrease of the 2PA cross-section to be related to the decrease of the transition moment and the increase in the excitation energy.

Place, publisher, year, edition, pages
2013. Vol. 14, no 16, 3731-3739 p.
Keyword [en]
absorption, charge transfer, density functional calculations, solvatochromism, solvent effects
National Category
Physical Sciences Chemical Sciences
URN: urn:nbn:se:kth:diva-134722DOI: 10.1002/cphc.201300695ISI: 000326311500017ScopusID: 2-s2.0-84887026428OAI: diva2:668324

QC 20131129

Available from: 2013-11-29 Created: 2013-11-28 Last updated: 2013-11-29Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Murugan, N. ArulÅgren, Hans
By organisation
Theoretical Chemistry and Biology
In the same journal
Physical SciencesChemical Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 30 hits
ReferencesLink to record
Permanent link

Direct link