ブリッジメディエートされた電荷分離は,同位体N-アヌル化ペリレンダイミドジマーで
Yuanyuan Guo1, Zetong Ma1, Xinmiao Niu1
1University of Chinese Academy of Sciences , Beijing 100049 , China.
Journal of the American Chemical Society
|July 24, 2019
まとめ
分子系における電荷分離は電子結合と溶媒の極性によって影響を受ける. メタ置換ブリッジの破壊的な干渉は,電荷分離を大幅に遅らせ,分子電子と光合成研究に影響します.
科学分野:
- 写真化学
- 分子電子
- 超分子化学
背景:
- 電荷分離 (CS) は分子電子と 光合成のような自然プロセスに不可欠です
- ドナー・ブリッジ・アクセプター分子はCSを容易にし,電子結合と溶媒効果は重要な決定因子である.
- 同様の染色体を持つシステムのCSダイナミクスを理解することは根本的なことです.
研究 の 目的:
- 結合ブリッジ構造が電荷分離ダイナミクスに及ぼす影響を調査する.
- 様々な溶媒における同位体N-無効ペリレン二酸化物 (BDNP) の電荷分離率を比較する.
- 電荷分離を媒介する溶媒効果と電子結合の役割を解明する.
主な方法:
- フェムトセカンド短時間吸収スペクトロシー (fs- TA) を使って,電荷分離のダイナミクスを研究した.
- 異なるブリッジ構造を持つ同位体BDNPダイマーの比較調査.
- 溶媒効果と電子結合を分析するために量子化学計算が利用されました.
主要な成果:
- 負荷分離は弱い極性溶媒では好ましくないが,極性溶媒では観測され,極性によって速度が増加する.
- メタ置換されたBDNPは,同位体よりも大きさの順序で遅い電荷分離率を示した.
- メタ置換されたBDNPにおける遅いCSは,ブリッジ経由の破壊的な波動関数干渉に起因する.
結論:
- 結合ブリッジ構造は 負荷分離の効率を決定します
- 溶媒の極性は,電荷分離速度と実行可能性を大きく変化させる.
- メタ置換ブリッジにおける破壊的干渉は,効率的な電荷分離に重大な障害をもたらす.
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