### Abstract

The ground state charge transfer γ(z) and magnetic gap ΔE_{m}(z) of organic donor-acceptor complexes with one dimensional⋯D^{+γ}A^{-γ}D^{+γ}A^{+γ}⋯ stacks are computed for arbitrary ratios of z = δ/2^{ 1 2}|t|where |t| is the charge-transfer integral and -2δ is the excitation energy for a D^{+}A^{-} electron-hole pair. Valence bond techniques give exact results for rings of N = 4, 6, 8, and 10 sites, which suffice to show that the neutral-ionic transition and ΔE_{m}(z) → 0 occur at z_{c} = 0.53 ± 0.01 with γ(z_{c}) = 0.68 ± 0.01.

Original language | English (US) |
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Pages (from-to) | 515-518 |

Number of pages | 4 |

Journal | Chemical Physics Letters |

Volume | 56 |

Issue number | 3 |

DOIs | |

State | Published - Jun 15 1978 |

Externally published | Yes |

### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

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## Cite this

Soos, Z. G., & Mazumdar, S. (1978). Magnetic gap and partial charge transfer in mixed donor-acceptor stacks.

*Chemical Physics Letters*,*56*(3), 515-518. https://doi.org/10.1016/0009-2614(78)89029-0