Reorientation-induced Stokes shifts caused by directional interactions in electronic spectroscopy: Fast dynamics of poly(methyl methacrylate)

Thomaz, Joseph E.; Kramer, Patrick L.; Fica-Contreras, Sebastian M.; Hoffman, David J.; Fayer, Michael D.

doi:10.1063/1.5094806

Title: Reorientation-induced Stokes shifts caused by directional interactions in electronic spectroscopy: Fast dynamics of poly(methyl methacrylate)

Journal Article · Tue May 21 00:00:00 EDT 2019 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5094806· OSTI ID:1614575

Thomaz, Joseph E. ^[1];

^[1]; Fica-Contreras, Sebastian M. ^[1];

^[1];

^[1]

Stanford Univ., CA (United States)

Dynamic Stokes shift measurements report on structural relaxation, driven by a dipole created in a chromophore by its excitation from the ground electronic state to the S1 state. Here we demonstrate that it is also possible to have an additional contribution from orientational relaxation of the Stokes shift chromophore. This effect, called reorientation-induced Stokes shift (RISS), can be observed when the reorientation of the chromophore and the solvent structural relaxation occur on similar time scales. Through a vector interaction, the electronic transition of the chromophore couples to its environment. The orientational diffusive motions of the chromophores will have a slight bias toward reducing the transition energy (red shift) as do the solvent structural diffusive motions. RISS is manifested in the polarization-dependence of the fluorescence Stokes shift using coumarin 153 (C153) in poly(methyl methacrylate) (PMMA). A similar phenomenon, reorientation-induced spectral diffusion (RISD), has been observed and theoretically explicated in the context of two dimensional infrared (2D IR) experiments. Here we generalize the existing RISD theory to include properties of electronic transitions that generally are not present in vibrational transitions. Expressions are derived that permit determination of the structural dynamics by accounting for the RISS contributions. Using these generalized equations, the structural dynamics of the medium can be measured for any system in which the directional interaction is well represented by a first order Stark effect and RISS or RISD is observed. The theoretical results are applied to the PMMA data, and the structural dynamics are obtained and discussed.

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Research Organization:: Stanford Univ., CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG03-84ER13251; FG02-84ER13251

OSTI ID:: 1614575

Alternate ID(s):: OSTI ID: 1513064; OSTI ID: 1783276; OSTI ID: 1784967

Journal Information:: Journal of Chemical Physics, Vol. 150, Issue 19; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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Title: Reorientation-induced Stokes shifts caused by directional interactions in electronic spectroscopy: Fast dynamics of poly(methyl methacrylate)

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