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Areas of interest:

• Relaxation processes of electronically excited states of organic chromophores: fluorescence, phosphorescence, internal conversion and intersystem crossing.

• Photophysics of organic materials (e.g. oligomers) with potential application in optoelectronics e.g. solar cells or light emitting diodes.

• Excited state properties of photosensitizers with antioxidant activity against singlet oxygen (¹O₂)

Publications:

Angela Rodriguez-Serrano, Fabian Dinkelbach and Christel M. Marian. Intersystem crossing processes in the 2CzPN emitter: A DFT/MRCI study including vibrational spin–orbit interactions. Phys. Chem Chem. Phys., accepted (2021). DOI: 10.1039/D0CP06011A

C. Diaz-Uribe, W. Vallejo, J. Flórez, J. Trilleras, M. Gutierrez, A. Rodriguez-Serrano, E. Schott, X. Zarate, “Furanyl Chalcones Derivatives as Efficient Singlet Oxygen Quenchers. An Experimental and DFT/MRCI Study” Chem. Phys. (2020), submitted.

X. Zarate, A. Rodriguez‐Serrano, E. Schott, J. Tatchen, "DFT/MRCI assessment of the excited‐state interplay in a coumarin‐schiff Mg²⁺ fluorescent sensor" J. Comput. Chem. (2020), 41, 136.

C. Díaz-Uribe, A. Rodriguez-Serrano, M. López, E. Schott, A. Muñoz, X. Zarate, "Singlet oxygen photogeneration by ethanolic extract of Syzygium cumini fruits: Theoretical elucidation through excited states computations" Chem. Phys. Lett. (2019), 715, 51.

X. Zarate, M. Saavedra-Torres, A. Rodriguez-Serrano, T. Gomez, E. Schott, "Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs" J. Comput. Chem. (2018), 39, 685.

M. C. Daza, D. M. Hernández, A. Rodriguez-Serrano, M. Doerr, "Efecto de la estructura molecular sobre el espectro electrónico vertical de la oxoglaucina" Rev. Colomb. Quím. (2018) 47, 64.

A. Rodriguez-Serrano, M. C. Daza, M. Doerr, J. Tatchen, C. M. Marian, "Protonation-state driven photophysics in phenothiazinium dyes: Intersystem crossing and singlet oxygen production" ChemPhotoChem (2017), 10, 459.

J. Rangel, C. Díaz-Uribe, A. Rodriguez-Serrano, X. Zarate, Y. Serge, W. Vallejo, M. Nogueras, J. Trilleras, J. Quiroga, J. Tatchen, J. Cobo, "Three-component one-pot synthesis of novel pyrido [2, 3-d] pyrimidine indole substituted derivatives and DFT analysis" J. Mol. Struc. (2017), 1137, 431.

X. Zarate, F. Claveira-Cadiz, D. Arias-Olivares, A. Rodriguez-Serrano, N. Inostroza, E. Schott, "Effects of the acceptor unit in dyes with acceptor–bridge–donor architecture on the electron photo-injection mechanism and aggregation in DSSCs" Phys. Chem. Chem. Phys. (2016), 18, 24239.

X. Zarate, S. Schott-Verdugo, A. Rodriguez-Serrano, E. Schott, "The nature of the donor motif in acceptor-bridge-donor dyes as influence in the electron photo-injection mechanism in DSSCs" J. Phys. Chem. A (2016), 120, 1613.

C. E. Diaz-Uribe, W. A. Vallejo, W. Castellar, J. Trilleras, S. Ortiz, A. Rodriguez-Serrano, X. Zarate, J. Quiroga, "Novel (E)-1-(pyrrole-2-yl)-3-(aryl)-2-(propen-1-one) derivatives as efficient singlet oxygen quenchers: Kinetics and quantum chemical calculations" RSC Adv. (2015), 5, 71565.

A. Rodriguez-Serrano, V. Rai-Constapel, M. C. Daza, M. Doerr, C. M. Marian, "Internal heavy atom effects in phenothiazinium dyes: Enhancement of intersystem crossing by vibronic spin-orbit coupling" Phys. Chem. Chem. Phys. (2015), 17, 11350.

A. Rodriguez-Serrano, M. C. Daza, M. Doerr and J. L. Villaveces, "Proton transfer from 1,4-pentadiene to superoxide radical anion: A QTAIM analysis" Rev. Colomb. Quím. (2012) 41, 409.

A. Rodriguez-Serrano, V. Rai-Constapel, M. C. Daza, M. Doerr, C. M. Marian, "A theoretical study of thionine: Spin-orbit coupling and intersystem crossing" Photochem. Photobiol. Sci. (2012) 11, 1860.

A. Rodriguez-Serrano, M. C. Daza, M. Doerr, C. M. Marian "A quantum chemical investigation of the electronic structure of thionine" Photochem. Photobiol. Sci. (2012) 11, 397.