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在共振稳定的1,2,3-dithiazolo-1,2,3-dithiazolyls中,作为中性pi根导体
Leanne Beer1, Jaclyn L Brusso, A Wallace Cordes
1Contribution from the Department of Chemistry, University of Waterloo, Ontario N2L 3G1, Canada.
研究人员从8-chloro-bis[1,2,3]dithiazolo[4,5-b:5]中合成了新的基因.
科学领域:
- 材料科学 材料科学 材料科学
- 有机化学 有机化学
- 固态物理 固态物理
背景情况:
- 兹维特异环是材料化学中的多功能构建模块.
- 了解电荷转移和分子间相互作用对于设计功能有机材料至关重要.
研究的目的:
- 为了合成和表征新的基化bis[1,2,3]dithiazolo[4,5-b:5',4'-e]pyridine (ClBP) 基.
- 研究这些激素的固态特性,包括晶体结构,导电性和磁性.
- 为了将分子结构与观察到的电子和磁性行为相关联.
主要方法:
- 8-chloro-bis[1,2,3]dithiazole[4,5-b:5',4'-e]pyridine (ClBP) 的化,然后进行减少.
- 使用循环电压测量,EPR光谱,X射线晶体学,磁感应性和导电性测量进行了表征.
- 计算分析包括B3LYP/6-31G气相计算和扩展的Hückel波段计算.
主要成果:
- 热稳定的晶体ClBP基的合成 (ClBPR).
- 晶体结构显示了滑落的pi-stack与显著的分子间S-S接触.
- 在ClBPMe.中观察到室温导电性 (10^-5到10^-6 S cm^-1) 和弱1D铁磁性.
- 在93K时观察到ClBPMe的相变,并进行了结构性特征.
结论:
- 电子和磁性属性归因于滑落的pi-stack中微弱的分子间重叠,受到硬质障碍的影响.
- 这项研究为潜在的电子应用提供了对有机基的结构性质关系的见解.
- 低库伦比克屏障U促进了固态中的电荷转移.
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