Magnetic gap and partial charge transfer in mixed donor-acceptor stacks

Z. G. Soos; S. Mazumdar

doi:10.1016/0009-2614(78)89029-0

Magnetic gap and partial charge transfer in mixed donor-acceptor stacks

Z. G. Soos, S. Mazumdar

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Abstract

The ground state charge transfer γ(z) and magnetic gap ΔE_m(z) of organic donor-acceptor complexes with one dimensional⋯D^+γA^-γD^+γA^+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)
Pages (from-to)	515-518
Number of pages	4
Journal	Chemical Physics Letters
Volume	56
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(78)89029-0
State	Published - Jun 15 1978
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(78)89029-0

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title = "Magnetic gap and partial charge transfer in mixed donor-acceptor stacks",

abstract = "The ground state charge transfer γ(z) and magnetic gap ΔEm(z) of organic donor-acceptor complexes with one dimensional⋯D+γA-γD+γA+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 ΔEm(z) → 0 occur at zc = 0.53 ± 0.01 with γ(zc) = 0.68 ± 0.01.",

author = "Soos, {Z. G.} and S. Mazumdar",

year = "1978",

month = jun,

day = "15",

doi = "10.1016/0009-2614(78)89029-0",

language = "English (US)",

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pages = "515--518",

journal = "Chemical Physics Letters",

issn = "0009-2614",

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number = "3",

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TY - JOUR

T1 - Magnetic gap and partial charge transfer in mixed donor-acceptor stacks

AU - Soos, Z. G.

AU - Mazumdar, S.

PY - 1978/6/15

Y1 - 1978/6/15

N2 - The ground state charge transfer γ(z) and magnetic gap ΔEm(z) of organic donor-acceptor complexes with one dimensional⋯D+γA-γD+γA+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 ΔEm(z) → 0 occur at zc = 0.53 ± 0.01 with γ(zc) = 0.68 ± 0.01.

AB - The ground state charge transfer γ(z) and magnetic gap ΔEm(z) of organic donor-acceptor complexes with one dimensional⋯D+γA-γD+γA+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 ΔEm(z) → 0 occur at zc = 0.53 ± 0.01 with γ(zc) = 0.68 ± 0.01.

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DO - 10.1016/0009-2614(78)89029-0

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VL - 56

SP - 515

EP - 518

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3

ER -

Magnetic gap and partial charge transfer in mixed donor-acceptor stacks

Abstract

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