RESEARCH INTERESTS

Ab intio calculations for aromatic molecules

Photophysics of molecules

REPRESENTATIVE PUBLICATIONS

29. Magnifying the ESIPT process in tris(salicylideneanilines) via the steric effect - a pathway to the molecules with panchromatic fluorescence
Paweł Gawryś, Olaf Morawski, Marzena Banasiewicz, Cristina A. Barboza,
Physical Chemistry Chemical Physics, 25 (2023) 12500-12514.

28. Conformation of Ester Group Governs the Photophysics of Highly Polarized Benzo[g]coumarins,
Kamil Szychta, Beata Koszarna, Marzena Banasiewicz, Andrzej L. Sobolewski, Omar O'Mari, John Clark, Valentine Vullev, Cristina A. Barboza, Gryko, Daniel,
JACS Au, 3 (2023) 1918-1930, https://doi.org/10.1021/jacsau.3c00169

27. Unravelling the ambiguity of the emission pattern of donor-acceptor salicylaldimines.
Cristina A. Barboza, Olaf Morawski, Joanna Olas, Paweł Gawryś, Marzena Banasiewicz, K. Suwinska, S. Shova, Bolesław Kozankiewicz, Andrzej L. Sobolewski
Journal of Molecular Liquids, 343 (2021) 117532, DOI10.1016/j.molliq.2021.117532.

26. Polarized Helical Coumarins: [1,5] Sigmatropic Rearrangement and Excited-State Intramolecular Proton Transfer
Łukasz Kielesiński, Olaf W. Morawski,* Cristina A. Barboza, and Daniel T. Gryko*
J. Org. Chem. 86 (2021) 6148-6159.

25. Substituent effects on the photophysical properties of tris(salicylideneanilines).
Cristina A. Barboza*, Paweł Gawryś , Marzena Banasiewicz, Bolesław Kozankiewicz, Andrzej L. Sobolewski,
Phys. Chem. Chem. Phys. 23 (2021) 1156-1164.

24. Non-traditional intrinsic luminescence of amphiphilic-based ionic liquids from oxazolidines: Interaction studies in phosphatidylcholine-composed liposomes and BSA optical sensing solution
L. C. Borba, C. H. Griebeler, M. F. Bach. Cristina A. Barboza, P. A. Nogara, J. B. T. da Rocha, S. S. Amaral, F. S. Rodembusch, P. H. Schneider,
J. Molecular Liquids 313 (2020) 11325.

23. Structural, electronic and magnetic properties of copper(I) cubic clusters
Cristina A. Barboza, A. Gambetta, R. Arratia-Perez, P. L. Rodriguez-Kessler, A. Munoz-Castro, D. MacLeod-Carey,
Polyhedron (2020) , ccepted for publication DOI: 10.1016/j.poly.2020.114878.

22. Molecular Structure-Optical Property Relationship of Salicylidene Derivatives: A Study on the First-Order Hyperpolarizability
M. G. Vivas, Cristina A. Barboza, J. C. Germino, R. D. Fonseca, D. L. Silva, P. A. M. Vazquez, T. D. Z Atvars, C. R. Mendonca, L. De Boni,
J. Phys. Chem. A (2020) , accepted for publication DOI:10.1021/acs.jpca.0c08530.

21. Substituent effects on the photophysical properties of tris(salicylideneanilines)
Cristina A. Barboza, Paweł Gawryś, Marzena Banasiewicz, Bolesław Kozankiewicz, Andrzej L. Sobolewski,
Phys. Chem. Chem. Phys. (2020) , accepted for publication DOI: 10.1039/D0CP04385K.

20. Photophysical transformations induced by chemical substitution to salicylaldimines
Cristina A. Barboza, Paweł Gawryś, Marzena Banasiewicz, K. Suwinska, Andrzej L. Sobolewski
Phys. Chem. Chem. Phys. 22 (2020) 6698.

19. White-Light Generation on All-solution-processed OLEDs using a benzothiazole-salophen derivative reactive to the ESIPT process
Duarte, L.G.T.A., Germino, J.C., Berbigier, J.F., Barboza, C.A., Faleiros, M.M., Simoni, D.A., Holanda, M.S., Rodembusch, F.S., Atvars, T.D.Z.
Phys. Chem. Chem. Phys. 21 (2019) 1172.

18. Evaluation of the antioxidant potential of myricetin 3-O-?-L-rhamnopyranoside and myricetin 4’-O-?-L-rhamnopyranoside through a computational study
Mendes, R.A., Almeida, S.K.C., Soares, I.N., Barboza, C.A., Freitas, R.G., Brown, A., Souza, G.L.C.
J. Molec. Model. 24 (2019) 133.

17. Structural characterization and cytotoxic evaluation of Cu(II), Co(II) and Ni(II) complexes with herbicide 4-chloro-2-methylphenoxyacetic acid
Drzewiecka-Antonik, A., Ferenc, W., Wolska, A., Kepkla, M., Barboza, C.A., Cristóv?o, B., Osypiuk, D., Sarzynski, J., Grosicka-Maciąg, E., Tarasiuk, B., Kurpios-Piec, D., Struga M.
Polyhedron 165 (2019) 86.

16. Photoacidity of the N-Salycilidene-5-Chloroaminopyridine
Klepka, M.T., Kalinowska, D., Barboza, C.A., Drzewiecka-Antonik, A., Ostrowska, K., Wolska, A.
Radiation Physics and Chemistry (2018) in press

15. An ab initio study on the photophysics of tris(salicylideneaniline)
Cristina A. Barboza, Andrzej L. Sobolewski,
Phys. Chem. Chem. Phys. 20 (2018) 25164.

14. Magnetically Induced Current Density using London Atomic Orbitals of Dihydroindeno- [1,2-b]-Fluorenes
Barboza, C.A., Bast, R., Barboza, E., MacLeod-Carey, D., Arratia-Perez, R.
New J. Chem. 42 (2018) 15648.

13. Photoacidity as a Tool to Rationalize Excited State Intramolecular Proton Transfer Reactivity in Flavonols
Duarte, L.G.T.A., Germino, J.C., De A. Braga, C., Barboza, C.A., Atvars, T.D.Z., Santos, F. Da S., Rodembusch, F.S.
Photochem. Photobiol. Sci. 17 (2018) 231.

12. A computational investigation on the antioxidant potential of myricetin 3, 4?-di-O-?-L-rhamnopyranoside
Mendes, R.A., Almeida, S.K.C., Soares, I. N., Barboza, C.A., Freitas, R.G., Brown, A., De Souza, G.L.C.
J. Mol. Model. 24 (2018) 133.

11. Electronic and Magnetic Properties of the [Ni(salophen)] Complex: An Experimental and DFT Study
Mendes, R.A., Fazolo, B.R., Germino, J.C., Ferraro, F., Santana, A.M., Ramos, R.J. de Souza, G.L.C., Freitas, R.G., Vazquez P.A.M., Barboza, C.A.
J. Adv. Res. 9 (2018) 27.

10. Photoacidity of the N-Salycilidene-5-Chloroaminopyridine
Barboza, C.A., Germino, J. C., Duarte,L.G.T.A., Quites, F.J., Vazquez, P.A.M., Atvars, T.D.Z
J. Luminescence 184 (2017) 268.

9. Revealing the Dynamic of Excited State Proton Transfer of a ?-conjugated Salicylidene compound: an Experimental and Theoretical Study
Vivas, M.G., Germino, J.C., Barboza,C.A., Simoni, D.A., Vazquez, P. A. M., De Boni, L., Atvars, T.D.Z., Mendonça, C.R.
J. Phys. Chem. C 121 (2017) 1283.

8. Excited State and Two-Photon Absorption in Salicylidene Molecules: The Role of Zn(II) Planarization
Vivas, M.G., Germino, J.C., Barboza, C.A., Vazquez, P.A.M., De Boni, L., Atvars, T.D.Z., Mendonça, C.R.
J. Phys. Chem. C 120 (2016) 4032.

7. Dual Emissions of Salicylidene-5-Chloroaminepyridine due to Excited State Intramolecular Proton Transfer: Dynamic Photophysical and Theoretical Studies
Germino, J.C., Barboza, C.A., Quites,F.J., Vazquez, P.A.M., Atvars,T.D.Z.
J. Phys. Chem. C 119 (2015) 27666.

6. Structural Correlations between Luminescent Properties and Excited State Internal Proton Transfer in Some Zinc (II) N, N?-Bis (salicylidenes)
Barboza, C.A., Germino, J.C., Santana, A.M., Quites, F.J., Vazquez, P.A.M., Atvars, T.D.Z.
J. Phys. Chem. C 119 (2015) 6152.

5. Theoretical Study of 3,3 Substitution of 9,9,9’,9’-Tetramethyl-Fluorene Dimers
Barboza, C.A., Carey, D.M.-L., Arratia-Perez, R.
Chem. Phys. Let. 538 (2012) 60.

4. A Relativistic Study of the Electronic and Magnetic Properties of Cerocene and its Anions
Ferraro, F., Barboza, C.A., Arratia-Perez, R.
J. Phys. Chem. A 116 (2012) 4170-4175.

3. A TDDFT Basis Set and Functional Assessment for the Calculation of Electronic Excitation Energies of Fluorene
Barboza, C.A., Vazquez, P.A.M., Carey, D.M.-L., Arratia-Perez, R.
Int. J. Quantum Chem. 112 (2012) 3434.

2. Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives
Barboza, C.A., Barboza, E., Carey, D.M.-L., Arratia-Perez, R.
Chem. Phys. Let. 545 (2012) 84.

1. Theoretical study on the electronic excitations of a porphyrin-polypiridyl ruthenium(II) photosensitizer
Cárdenas-Jirón, G.I., Barboza, C.A., López, R., Menéndez, M.I.
J. Phys. Chem. A 115 (2012) 11988.