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Photoejection–recapture of the Ca²⁺ cation studied by time resolved spectroscopy and TDDFT calculations: the case study of an azacrown–iridium(III) complex.

Autor: Guerrin, Clément, De Thieulloy, Laure, Dubois, Julien, Barois, Clément, Perrier, Aurélie, Leray, Isabelle, Mongin, Cedric, Aloise, Stephane

Publikováno v: New Journal of Chemistry; 11/7/2024, Vol. 48 Issue 41, p17711-17721, 11p

In silico strategy to design an efficient organic photoswitch based on excited-state cation transfer.

Autor: de Thieulloy, Laure, Mongin, Cédric, Leray, Isabelle, Guerrin, Clément, Buntinx, Guy, Aloïse, Stéphane, Perrier, Aurélie

Publikováno v: Physical Chemistry Chemical Physics (PCCP); 1/21/2024, Vol. 26 Issue 3, p1904-1916, 13p

Is it possible to 'simply' predict the photoejection of a cation? Example of azacrown-substituted [(bpy)Re(CO) 3 L] + complexes

Autor: de Thieulloy, Laure, Barois, Clément, Mongin, Cédric, Leray, Isabelle, Guerrin, Clément, Aloïse, Stéphane, Buntinx, Guy, Perrier, Aurélie

Publikováno v: Journal of Photochemistry and Photobiology A: Chemistry
Journal of Photochemistry and Photobiology A: Chemistry, 2022, 426, pp.113714. ⟨10.1016/j.jphotochem.2021.113714⟩

International audience; In the context of designing efficient photocontrolled ion-release systems, we propose a ”simple” computational strategy able to predict the cation photoejection. Our strategy is based on TD-DFT calculations and the analysi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::4f80197a6eed4b3c989a7b5df328006d
https://u-paris.hal.science/hal-03576862

Study of the switching behaviour of indolino-oxazolidine derivatives by NMR spectroscopy and DFT calculations

Autor: Guerrin, Clément

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a3bbf66b6225ea002544ecfb51b088fb