Electronic coupling effects on photoinduced electron transfer in carotene-porphyrin-fullerene triads detected by time-resolved EPR

J Chem Inf Model. 2005 Nov-Dec;45(6):1580-8. doi: 10.1021/ci050183e.

Abstract

Photoinduced charge separation and recombination in a carotenoid-porphyrin-fullerene triad C-P-C60 (Bahr et al., 2000) have been followed by time-resolved electron paramagnetic resonance. The electron-transfer process has been characterized in a glass of 2-methyltetrahydrofuran and in the nematic phase of two uniaxial liquid crystals (E-7 and ZLI-1167). In all the different media, the molecular triad undergoes two-step photoinduced electron transfer, with the generation of a long-lived charge-separated state (C*+-P-C60*-), and charge recombination to the triplet state, localized in the carotene moiety, mimicking different aspects of the photosynthetic electron-transfer process. The magnetic interaction parameters have been evaluated by simulation of the spin-polarized radical pair spectrum. The weak exchange interaction parameter (J = +1.7 +/- 0.1 G) provides a direct measure of the dominant electronic coupling matrix element V between the C*+-P-C60*- radical pair state and the recombination triplet state 3C-P-C60. Comparison of the estimated values of V for this triad and a structurally related triad differing only in the porphyrin bridge (octaalkylporphyrin vs tetraarylporphyrin) explains in terms of an electronic coupling effect the approximately 6-fold variation of the recombination rate induced by the modification of the porphyrin bridge as derived by kinetic experiments (Bahr et al., 2000).

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Carotenoids / chemistry*
  • Computer Simulation
  • Crystallization
  • Electron Spin Resonance Spectroscopy
  • Electron Transport*
  • Fullerenes / chemistry*
  • Porphyrins / chemistry*

Substances

  • Fullerenes
  • Porphyrins
  • Carotenoids