Title

Untangling The Excited States Of Dr1 In Solution: An Experimental And Theoretical Study

Abstract

We report the experimental observations and the theoretical predictions of the fully separated n-π* and π-π* bands of Disperse Red One in acidified methanol solution. The analysis of the linear and two-photon absorption spectra is presented in four specific solvents. We demonstrate the possibility to establish the position of the first two excited states combining linear and nonlinear spectroscopy. Calculations using density functional theory at TD-B3LYP/6-31G*//HF/6-31G* level accurately predict the spectral region of the n-n* and π-π* transitions of DR1 in all solvents. © 2008 American Chemical Society.

Publication Date

5-1-2008

Publication Title

Journal of Physical Chemistry A

Volume

112

Issue

17

Number of Pages

3886-3890

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1021/jp711552e

Socpus ID

47049085270 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/47049085270

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