Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies

Ricard Gelabert Peiri; Miquel Moreno Ferrer; Josep Maria Lluch López

doi:10.1021/acsomega.4c06922

Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies

Ricard Gelabert Peiri, Miquel Moreno Ferrer, Josep Maria Lluch López

Research output: Contribution to journal › Article › Research › peer-review

Abstract

Numerical simulations of the absorption bands of photoswitch E - o -tetrafluoroazobenzene in DMSO solution under one-, two-, and three-photon absorption conditions combined with the analysis of the behavior of transition probability under distortion of planarity reveal many similarities between the mono- and triphoton spectroscopic behaviors with a two-photon spectrum being set apart. The position of the absorption peak for the studied nπ* and ππ* transitions appears shifted to lower energies (longer wavelengths) than the conventional estimate based on vertical excitation from the ground-state potential energy minimum.

Original language	English
Pages (from-to)	41968-41977
Number of pages	10
Journal	ACS Omega
Volume	9
Issue number	40
DOIs	https://doi.org/10.1021/acsomega.4c06922
Publication status	Published - 2024

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10.1021/acsomega.4c06922

https://ddd.uab.cat/record/319967

USO DE LA INGENIERIA BIOMOLECULAR Y DE LA FOTOFARMACOLOGIA TEORICAS PARA DISEÑAR Y OBTENER NUEVOS FARMACOS PARA ENFERMEDADES HUMANAS, INCLUYENDO LA COVID-19
Lluch Lopez, J. M. (Principal Investigator), Gonzalez Lafont, M. D. A. (Co-Investigador/a Principal), Canyelles-Niño, M. (Collaborator), Cruz Saez, A. (Collaborator), Gelabert Peiri, R. (Investigator), Moreno Ferrer, M. (Investigator) & Perez Sanchez, A. (Collaborator)
1/09/21 → 31/03/25
Project: Research Projects and Other Grants

Cite this

@article{18ba978ce47a4bd0884d9bf423212255,

title = "Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies",

abstract = "Numerical simulations of the absorption bands of photoswitch E - o -tetrafluoroazobenzene in DMSO solution under one-, two-, and three-photon absorption conditions combined with the analysis of the behavior of transition probability under distortion of planarity reveal many similarities between the mono- and triphoton spectroscopic behaviors with a two-photon spectrum being set apart. The position of the absorption peak for the studied nπ* and ππ* transitions appears shifted to lower energies (longer wavelengths) than the conventional estimate based on vertical excitation from the ground-state potential energy minimum.",

author = "\{Gelabert Peiri\}, Ricard and \{Moreno Ferrer\}, Miquel and \{Lluch L{\'o}pez\}, \{Josep Maria\}",

year = "2024",

doi = "10.1021/acsomega.4c06922",

language = "English",

volume = "9",

pages = "41968--41977",

number = "40",

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T1 - Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies

AU - Gelabert Peiri, Ricard

AU - Moreno Ferrer, Miquel

AU - Lluch López, Josep Maria

PY - 2024

Y1 - 2024

N2 - Numerical simulations of the absorption bands of photoswitch E - o -tetrafluoroazobenzene in DMSO solution under one-, two-, and three-photon absorption conditions combined with the analysis of the behavior of transition probability under distortion of planarity reveal many similarities between the mono- and triphoton spectroscopic behaviors with a two-photon spectrum being set apart. The position of the absorption peak for the studied nπ* and ππ* transitions appears shifted to lower energies (longer wavelengths) than the conventional estimate based on vertical excitation from the ground-state potential energy minimum.

AB - Numerical simulations of the absorption bands of photoswitch E - o -tetrafluoroazobenzene in DMSO solution under one-, two-, and three-photon absorption conditions combined with the analysis of the behavior of transition probability under distortion of planarity reveal many similarities between the mono- and triphoton spectroscopic behaviors with a two-photon spectrum being set apart. The position of the absorption peak for the studied nπ* and ππ* transitions appears shifted to lower energies (longer wavelengths) than the conventional estimate based on vertical excitation from the ground-state potential energy minimum.

U2 - 10.1021/acsomega.4c06922

DO - 10.1021/acsomega.4c06922

M3 - Article

C2 - 39398148

SN - 2470-1343

VL - 9

SP - 41968

EP - 41977

JO - ACS Omega

JF - ACS Omega

IS - 40

ER -

Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies

Abstract

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USO DE LA INGENIERIA BIOMOLECULAR Y DE LA FOTOFARMACOLOGIA TEORICAS PARA DISEÑAR Y OBTENER NUEVOS FARMACOS PARA ENFERMEDADES HUMANAS, INCLUYENDO LA COVID-19

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