Theoretical Molecular Spectroscopy (SMT)

Texte de présentation à mettre ici

Research Activities

J. P. Lavoine (Maître de Conférences Unistra) :

Description of Markovian and/or non-Markovian dynamics in molecular systems.

Modeling of spectroscopic experiments exploiting nonlinear optical processes.

A. J. Boeglin (Chargé de Recherche CNRS) :

Evaluation of electronic responses of molecules in solution.

Determination of vibrational properties of nonlinear optical chromophores.

Spectroscopic studies of pyridinium phenoxydes

Femtosecond time-resolved nonlinear spectroscopy

Theoretical tools :

  • Wave packet propagation in the density operator formalism.
  • Computer algebra applied to nonlinear optics.
  • Semi-empirical methods and Density Functional Theory.

Team Members :

Researcher, Ultrafast Optics and Nanophotonics (DON)Alex.Boeglin@ipcms.unistra.fr
Tél: /Bureau: 1049
Insérez une photo de l’équipe ici

Recent publications :

[1]
K. Vasilev, S. Canola, F. Scheurer, A. Boeglin, F. Lotthammer, F. Cherioux, T. Neuman, G. Schull, Exploring the Role of Excited States’ Degeneracy on Vibronic Coupling with Atomic-Scale Optics., ACS Nano 18 (2024) 28052–28059. https://doi.org/10.1021/acsnano.4c07136.
[1]
K. Vasilev, B. Doppagne, T. Neuman, A. Roslawska, H. Bulou, A. Boeglin, F. Scheurer, G. Schull, Internal Stark effect of single-molecule fluorescence, Nature Communications 13 (2022) 677. https://doi.org/10.1038/s41467-022-28241-8.
[1]
G. Ulrich, A. Barsella, A. Boeglin, S. Niu, R. Ziessel, BODIPY-Bridged Push-Pull Chromophores for Nonlinear Optical Applications, ChemPhysChem 15 (2014) 2693–2700. https://doi.org/10.1002/cphc.201402123.
[1]
G. Taupier, A. Boeglin, O. Crégut, L. Mager, A. Barsella, K. Gasior, J.-L. Rehspringer, K.D. (Honorat) Dorkenoo, Beating photo-degradation in sum-frequency imaging of chiral organic media, Optical Materials 45 (2015) 22–27. https://doi.org/10.1016/j.optmat.2015.02.033.
[1]
G. Taupier, M. Torres-Werle, A. Boeglin, A. Maisse-Francois, T. Achard, S. Bellemin-Laponnaz, K.D. (Honorat) Dorkenoo, Optically active sum-frequency generation as an advanced tool for chiral metallopolymer material, Applied Physics Letters 110 (2017) 021904. https://doi.org/10.1063/1.4973580.
[1]
G. Taupier, M. Saad, M. Romeo, O. Crégut, A. Boeglin, L. Mager, A. Barsella, H. Arhach, J.-L. Rehspringer, K.D. Dorkenoo, Sum-frequency generation in sol-gel material doped with binaphthol, Applied Physics Letters 101 (2012) 241911. https://doi.org/10.1063/1.4772001.
[1]
M. Marinova, M. Torres-Werle, G. Taupier, A. Maisse-Francois, T. Achard, A. Boeglin, K.D.H. Dorkenoo, S. Bellemin-Laponnaz, Chiral Self-Sorting Process with Ditopic Ligands: Alternate or Block Metallopolymer Assembly as a Function of the Metal Ion, ACS Omega 4 (2019) 2676–2683. https://doi.org/10.1021/acsomega.8b03484.
[1]
S. Jiang, T. Neuman, R. Bretel, A. Boeglin, F. Scheurer, E. Le Moal, G. Schull, Many-Body Description of STM-Induced Fluorescence of Charged Molecules., Physical Review Letters 130 (2023) 126202. https://doi.org/10.1103/PhysRevLett.130.126202.
[1]
S. Jiang, T. Neuman, A. Boeglin, F. Scheurer, G. Schull, Topologically localized excitons in single graphene nanoribbons., Science 379 (2023) 1049–1053. https://doi.org/10.1126/science.abq6948.
[1]
Y. Hinschberger, J.P. Lavoine, Relation between magnetization and Faraday angles produced by ultrafast spin-flip processes within the three-level A-type system, Journal of Applied Physics 118 (2015) 053908 / p. 1–10. https://doi.org/10.1063/1.4927841.
[1]
V. Hardel, G. Manfredi, P.-A. Hervieux, R. Goerlich, Shortcuts to adiabaticity in harmonic traps: A quantum-classical analog., Physical Review E 110 (2024) 054138. https://doi.org/10.1103/PhysRevE.110.054138.
[1]
N. Genevaz, P. Chavez, V. Untilova, A. Boeglin, C. Bailly, L. Karmazin, L. Biniek, Tuning crystallochromism in diketopyrrolopyrrole-co-thieno[3,2-b]thiophene derivatives by the architecture of their alkyl side chains, Journal of Materials Chemistry C 6 (2018) 9140–9151. https://doi.org/10.1039/c8tc02022a.
[1]
S. Finck, J.-T. Issenhuth, S. Despax, C. Sirlin, M. Pfeffer, C. Poidevin, C. Gourlaouen, A. Boeglin, C. Daniel, Structural and optical properties of new cyclometalated Ru(II) derived compounds, Journal of Organometallic Chemistry 760 (2014) 248–259. https://doi.org/10.1016/j.jorganchem.2013.08.032.
[1]
K.D. Dorkenoo, E. Sungur, H. Bulou, G. Taupier, A. Boeglin, Monitoring the contractile properties of optically patterned liquid crystal based elastomers, in: Advanced Elastomers - Technology, Properties and Applications, Edited by Anna Boczkowska, InTech, 2012: p. Chap. 2, 39.
[1]
C. Doras, G. Taupier, A. Barsella, L. Mager, A. Boeglin, H. Bulou, P. Bousquet, K.D. Dorkenoo, Polarization state studies in second harmonic generation signals to trace atherosclerosis lesions, Optics Express 19 (2011) 15062–15068. https://doi.org/10.1364/OE.19.015062.
[1]
B. Doppagne, M.C. Chong, H. Bulou, A. Boeglin, F. Scheurer, G. Schull, Electrofluorochromism at the single-molecule level, Science 361 (2018) 251–254. https://doi.org/10.1126/science.aat1603.
[1]
B. Doppagne, M.C. Chong, E. Lorchat, S. Berciaud, M. Romeo, H. Bulou, A. Boeglin, F. Scheurer, G. Schull, Vibronic Spectroscopy with Submolecular Resolution from STM-Induced Electroluminescence, Physical Review Letters 118 (2017) 127401. https://doi.org/10.1103/PhysRevLett.118.127401.
[1]
M.C. Chong, L. Soso-Vargas, H. Bulou, A. Boeglin, F. Scheurer, F. Mathevet, G. Schull, Ordinary and Hot Electroluminescence from Single-Molecule Devices: Controlling the Emission Color by Chemical Engineering, Nano Letters 16 (2016) 6480–6484. https://doi.org/10.1021/acs.nanolett.6b02997.
[1]
M.C. Chong, G. Reecht, H. Bulou, A. Boeglin, F. Scheurer, F. Mathevet, G. Schull, Narrow-Line Single-Molecule Transducer between Electronic Circuits and Surface Plasmons, Physical Review Letters 116 (2016) 036802. https://doi.org/10.1103/PhysRevLett.116.036802.
[1]
A. Chantzis, T. Very, S. Despax, J.-T. Issenhuth, A. Boeglin, P. Hébraud, M. Pfeffer, A. Monari, X. Assfeld, UV-vis absorption spectrum of a novel Ru(II) complex intercalated in DNA: [Ru(2,2 `-bipy)(dppz)(2,2 `-ArPy)](+), Journal of Molecular Modeling 20 (2014) 2082. https://doi.org/10.1007/s00894-014-2082-2.
[1]
C. Bisio, J. Brendle, S. Cahen, Y. Feng, S.-J. Hwang, K. Melanova, M. Nocchetti, D. O’Hare, P. Rabu, F. Leroux, Recent advances and perspectives on intercalation layered compounds part 1: design and applications in the field of energy, Dalton Transactions 53 (2024) 14525–14550. https://doi.org/10.1039/d4dt00755g.
[1]
I. Bel-Hadj, M. Guerboub, A. Lambrecht, G. Ori, C. Massobrio, E. Martin, Thermal conductivity of crystalline Ge2Sb2Te5: lattice contribution and size effects in the cubic phase quantified by approach-to-equilibrium molecular dynamics, Journal of Physics D-Applied Physics 57 (2024) 235303. https://doi.org/10.1088/1361-6463/ad316b.

Femtosecond time-resolved nonlinear spectroscopy

Spectroscopic studies of pyridinium phenoxides