Tuning the linear optical properties and two-photon absorption on the cinnamylideneacetophenone derivatives: the effect of methoxy group by a experimental and theoretical point of view.
SANTOS, Carlos Henrique Domingues dos; PELOSI, André Gasparotto; VALVERDE, João Victor Pereira; COCCA, Leandro Henrique Zucolotto; PINTO, Diana Cláudia Gouveia Alves; FAUSTINO, Maria do Amparo Ferreira; MENDONÇA, Cleber Renato; SILVA, Daniel Luiz da; DE BONI, Leonardo.
SANTOS, Carlos Henrique Domingues dos; PELOSI, André Gasparotto; VALVERDE, João Victor Pereira; COCCA, Leandro Henrique Zucolotto; PINTO, Diana Cláudia Gouveia Alves; FAUSTINO, Maria do Amparo Ferreira; MENDONÇA, Cleber Renato; SILVA, Daniel Luiz da; DE BONI, Leonardo.
Abstract: The present work studied the effect of the methoxy group position in two cinnamylideneacetophenone (CA) derivatives on both one-photon (1PA) and two-photon absorption (2PA) processes. Our outcomes exhibit a dependence on the methoxy group position spectrally and in magnitude for both. A decrease in the lower energy 1PA band of was observed when the methoxy group was moved to the more conjugated part of the cinnamaldehyde molecule. The opposite was also observed for the next higher absorption band. The Quantum Chemical Calculations (QCCs), besides a good agreement between the experimental and simulated 1PA spectra, except for the magnitude of the high energy absorption band, showed that the effect behind the observed experimental red-shift of the lower absorption band is caused by the higher charge transfer when the methoxy group is bounded to the longer conjugated part of the cinnamaldehyde derivative. For experimental 2PA spectra, the higher energy band is strongly affected by the presence of the methoxy group, pointing out an increase of about 56 % in the values of the two-photon absorption cross-section (2PACS). Furthermore, the phenomenological Sum-Over-Essential States (SOS) approach and QCCs were performed for further clarification in the 2PACS experimental results. Hence, our findings demonstrate that changing the methoxy position on opposite sides of the CA may open up a novel insight for designing new organic molecules, particularly when seeking to enhance the values of 2PACS significantly of CA derivatives.
@article={003190954,author = {SANTOS, Carlos Henrique Domingues dos; PELOSI, André Gasparotto; VALVERDE, João Victor Pereira; COCCA, Leandro Henrique Zucolotto; PINTO, Diana Cláudia Gouveia Alves; FAUSTINO, Maria do Amparo Ferreira; MENDONÇA, Cleber Renato; SILVA, Daniel Luiz da; DE BONI, Leonardo.},title={Tuning the linear optical properties and two-photon absorption on the cinnamylideneacetophenone derivatives: the effect of methoxy group by a experimental and theoretical point of view},journal={Journal of Photochemistry and Photobiology A},note={v. 453, p. 115648-1-115648-8 + supplementary data},year={2024}}