Comments on the optical lineshape function: application to transient hole-burned spectra of bacterial reaction centers

The Journal of Chemical Physics
Mike ReppertRyszard Jankowiak

Abstract

The vibrational spectral density is an important physical parameter needed to describe both linear and non-linear spectra of multi-chromophore systems such as photosynthetic complexes. Low-temperature techniques such as hole burning (HB) and fluorescence line narrowing are commonly used to extract the spectral density for a given electronic transition from experimental data. We report here that the lineshape function formula reported by Hayes et al. [J. Phys. Chem. 98, 7337 (1994)] in the mean-phonon approximation and frequently applied to analyzing HB data contains inconsistencies in notation, leading to essentially incorrect expressions in cases of moderate and strong electron-phonon (el-ph) coupling strengths. A corrected lineshape function L(ω) is given that retains the computational and intuitive advantages of the expression of Hayes et al. [J. Phys. Chem. 98, 7337 (1994)]. Although the corrected lineshape function could be used in modeling studies of various optical spectra, we suggest that it is better to calculate the lineshape function numerically, without introducing the mean-phonon approximation. New theoretical fits of the P870 and P960 absorption bands and frequency-dependent resonant HB spectra of Rb. sphaeroides ...Continue Reading

References

Feb 14, 2012·The Journal of Physical Chemistry. B·Bhanu NeupaneRyszard Jankowiak
May 31, 2013·The Journal of Physical Chemistry. B·Adam KellRyszard Jankowiak
Jan 31, 2014·The Journal of Physical Chemistry Letters·Peter D DahlbergGregory S Engel
Feb 16, 2012·The Journal of Physical Chemistry Letters·Kristin L M Lewis, Jennifer P Ogilvie

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Citations

Jul 10, 2021·The Journal of Chemical Physics·Vytautas BubilaitisDarius Abramavicius
Jan 10, 2019·The Journal of Physical Chemistry. B·Anton KhmelnitskiyRyszard Jankowiak

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