Ultrafast spin crossover photochemical mechanism in [Fe(2,2'−bipyridine)3]2+ revealed by quantum dynamics

Autor: Marc Alias-Rodriguez, Swarnendu Bhattacharyya, Miquel Huix-Rotllant

The photoinduced spin crossover reaction of [FeII(2,2'-bipyridine)3]2+ is a light-induced transformation of the initial singlet low-spin configuration (1A1) in a quintet high-spin state (5T2) in the sub-picosecond timescale. The photochemical mechani

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8b8637e389369797a6bc88988580107
https://doi.org/10.26434/chemrxiv-2022-q8hhp

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

Autor: Sergey V. Antipov, Swarnendu Bhattacharyya, Krystel El Hage, Zhen-Hao Xu, Markus Meuwly, Ursula Rothlisberger, Jiří Vaníček

Publikováno v: Structural Dynamics, Vol 4, Iss 6, Pp 061509-061509-43 (2017)

Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of

Externí odkaz: https://doaj.org/article/8d9bc1caf19d4bd787a90c1f16fd0b9c

Ultrafast pulse shaping modulates perceived visual brightness in living animals

Autor: Matteo Montagnese, Ursula Rothlisberger, Pedro Luis Herrera, Adrien Chauvet, Sylvain Hermelin, Luigi Bonacina, Ivan Rodriguez, Geoffrey Gaulier, Cédric Schmidt, Swarnendu Bhattacharyya, Florence Chiodini, Jean-Pierre Wolf, Quentin Dietschi

Publikováno v: Science Advances
Science Advances, American Association for the Advancement of Science (AAAS), 2021, 7 (18), pp.eabe1911. ⟨10.1126/sciadv.abe1911⟩
Science Advances, Vol. 7, No 18 (2021) P. eabe1911

Vision in living mice is sensitive to femtosecond pulse shaping.
Vision is usually assumed to be sensitive to the light intensity and spectrum but not to its spectral phase. However, experiments performed on retinal proteins in solution showed t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::efbdcf4d83b37f33b9fdc8e1ded0d6d0
https://hal.archives-ouvertes.fr/hal-03220160

E×e Jahn–Teller effect in the P4+ cation and its signatures in the photoelectron spectrum of P4

Autor: Swarnendu Bhattacharyya, Daniel Opalka, Wolfgang Domcke

Publikováno v: Chemical Physics. 460:51-55

The Jahn–Teller effect in the electronic ground state of the P 4 + radical cation, which is one of the strongest E × e Jahn–Teller effects known in nature, has been revisited in this work with computational methods. The relevance of the Jahn–T

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::03d971b465c48fc298984f0b19999bb8
https://doi.org/10.1016/j.chemphys.2015.05.002

Quantum dynamics on a three-sheeted six-dimensionalab initiopotential-energy surface of the phosphine cation: Simulation of the photoelectron spectrum and the ultrafast radiationless decay dynamics

Autor: Wolfgang Domcke, Zuyang Dai, Swarnendu Bhattacharyya

Publikováno v: The Journal of Chemical Physics. 143:194301

A diabatic three-sheeted six-dimensional potential-energy surface has been constructed for the ground state and the lowest excited state of the PH3 (+) cation. Coupling terms of Jahn-Teller and pseudo-Jahn-Teller origin up to eighth order had to be i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56a660403a0958b9a3810e4062d55e2a
https://doi.org/10.1063/1.4935601