Design and Synthesis of Novel Biradicals for Molecular-Spin Quantum Computers: Control of Exchange Interaction by a Bisdurene Bridge and a <I>g</I>-Engineering Approach

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Other Title
  • 分子スピン量子コンピュータのモデル系・新規ビラジカルの設計と合成: ビスデュレン架橋による交換相互作用の制御と<I>g</I>-engineeringの検討

Description

For the implementation of molecule-based electron-spin quantum computing/quantum information processing (QC/QIP), weakened exchange-coupling between the electrons in organic biradicals with nonequivalent g-tensors at the radical sites is essential. However, stable biradicals reported so far possess too strong exchange interactions to manipulate electron-qubits for QC/QIP, because they were purposely synthesized according to the molecular design criteria for molecule-based magnetism. For controlling exchange interactions and g-engineering, we have designed novel organic biradicals by utilizing bisdurene, which possesses a perpendicular pi-conjugation, as a bridge between radical moieties. Quantum chemical calculations demonstrate the perpendicular conformation of the pi-plane and the two radical moieties, indicating the occurrence of extremely weak exchange interaction and nonequivalent g-tensors at the two radical sites. In this presentation, we will report the synthetic study of these novel biradicals and the single-crystal ESR spectral simulations based on theoretical calculations. The simulation gives a testing ground for QC/QIP experimental setups.

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Details 詳細情報について

  • CRID
    1390282680532967680
  • NII Article ID
    130004645398
  • DOI
    10.11494/kisoyuki.2008.0.276.0
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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