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Proc Natl Acad Sci U S A. 2013 Sep 24;110(39):15597-601. doi: 10.1073/pnas.1308604110. Epub 2013 Sep 9.

Watching energy transfer in metalloporphyrin heterodimers using stimulated X-ray Raman spectroscopy.

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Department of Chemistry, University of California, Irvine, CA 92697.


Understanding the excitation energy transfer mechanism in multiporphyrin arrays is key for designing artificial light-harvesting devices and other molecular electronics applications. Simulations of the stimulated X-ray Raman spectroscopy signals of a Zn/Ni porphyrin heterodimer induced by attosecond X-ray pulses show that these signals can directly reveal electron-hole pair motions. These dynamics are visualized by a natural orbital decomposition of the valence electron wavepackets.


REW-TDDFT; chromophore aggregates; core transitions; nonlinear

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