Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters

Autor: Temitope T. Abiola, Josene M. Toldo, Mariana T. do Casal, Amandine L. Flourat, Benjamin Rioux, Jack M. Woolley, Daniel Murdock, Florent Allais, Mario Barbatti, Vasilios G. Stavros

Publikováno v: Communications Chemistry, Vol 5, Iss 1, Pp 1-9 (2022)

Photoinduced isomerization reactions can be used to efficiently dissipate absorbed energy in photosystems such as molecular motors, but the ultrafast processes are challenging to characterize. Here, the authors track the formation of the E and Z isom

Externí odkaz: https://doaj.org/article/4cc2b87fc16247d7ab35e93341641174

Classification of doubly excited molecular electronic states

Autor: Mariana T. do Casal, Josene M. Toldo, Mario Barbatti, Felix Plasser

Publikováno v: Chemical Science
Chemical Science, 2023, 14, pp.4012-4026. ⟨10.1039/d2sc06990c⟩

International audience; Electronic states with partial or complete doubly excited character play a crucial role in many areas, such as singlet fission and non-linear optical spectroscopy. Although doubly excited states have been studied in polyenes a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f983065b65d95b1aebb1f16b45e41cb
https://doi.org/10.1039/d2sc06990c

Surface hopping modeling of charge and energy transfer in complex environments

Autor: Josene M. Toldo, Mariana Telles do Casal, Elizete Ventura, Silmar Andrade do Monte, Mario Barbatti

A complex environment is any atomic or molecular system changing a chromophore's nonadiabatic dynamics compared to the isolated molecule. The action of the environment on the chromophore occurs by changing the potential energy landscape and triggerin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d1930fd6cadebc4ff80ea89b57503dd7
https://doi.org/10.26434/chemrxiv-2023-fzzk1

Towards developing novel and sustainable molecular light-to-heat converters

Autor: Jimmy Alarcan, Mariana T. do Casal, Matthew A. P. Turner, Michael N. R. Ashfold, Florent Allais, Daniel J. L. Coxon, Matthieu M. Mention, Mario Barbatti, Wybren Jan Buma, Temitope T. Abiola, Benjamin Rioux, Josene M. Toldo, Jack Matthew Woolley, Albert Braeuning, Vasilios G. Stavros, Cédric Peyrot

Publikováno v: Chemical Science, 12, 15239-15252
Abiola, T T, Rioux, B, Toldo, J M, Alarcan, J, Woolley, J M, Turner, M A P, Coxon, D J L, do Casal, M T, Peyrot, C, Mention, M M, Buma, W J, Ashfold, M N R, Braeuning, A, Barbatti, M, Stavros, V G & Allais, F 2021, ' Towards Developing Novel and Sustainable Molecular Light-to-Heat Converters ', Chemical Science, vol. 12, no. 46, pp. 15239-15252 . https://doi.org/10.1039/d1sc05077j
Chemical Science
Chemical Science, The Royal Society of Chemistry, 2021, 12, pp.15239-15252. ⟨10.1039/d1sc05077j⟩
Chemical Science, 2021, 12, pp.15239-15252. ⟨10.1039/d1sc05077j⟩
Chemical Science, 12, 46, pp. 15239-15252

Light-to-heat conversion materials generate great interest due to their widespread applications, notable exemplars being solar energy harvesting and photoprotection. Another more recently identified potential application for such materials is in mole

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c79cf08d119779f6b0a9e687f8af1ea
https://hdl.handle.net/2066/240860

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