DFT/TDDFT investigation on the UV-vis absorption and fluorescence properties of alizarin dye

Author:

Amat Anna1234,Miliani Costanza23456,Romani Aldo56784,Fantacci Simona1234

Affiliation:

1. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO)

2. CNR-ISTM

3. Perugia

4. Italy

5. Centro di Eccellenza SMAArt (Scientific Methodologies applied to Archaeology and Art)

6. Dipartimento di Chimica

7. Biologia e Biotecnologie

8. Università di Perugia

Abstract

Potential energy curve for the ESIPT. Top inset: vibrationally resolved emission spectra computed for both tautomers. Bottom insets: main vibrational modes.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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