高度对称的膨胀氨酸的非线性光学特性和兴奋状态动态
Zin Seok Yoon1, Jung Ho Kwon, Min-Chul Yoon
1Department of Chemistry and Center for Ultrafast Optical Characteristics Control, Yonsei University, Seoul 120-749, Korea.
Journal of the American Chemical Society
|October 26, 2006
概括
扩展氨酸显示了芳香度标记物,分子平面性和两光子吸收 (TPA) 值之间的强烈联系. 这表明TPA可以在宏观循环系统中定量测量芳香度.
科学领域:
- * 计算化学和光谱学
- * 有机和材料科学
背景情况:
- * 扩展氨酸是具有可调节电子性能的宏循环系统.
- *芳香度是影响分子行为和稳定的关键性质.
- *核独立化学转移 (NICS) 和两光子吸收 (TPA) 是电子结构的重要指标.
研究的目的:
- * 调查NICS,分子平面性和扩展氨酸中TPA之间的相关性.
- * 探索电子结构和光学特性之间的关系.
- * 确定TPA作为宏环PI结合系统中芳香度的定量衡量标准.
主要方法:
- * 计算各种扩展氨酸的NICS值.
- *测量合成化合物的TPA值.
- * 分子平面性和电子结构 (pi电子) 的分析.
主要成果:
- * 在NICS,平面性和TPA值之间发现了强烈的相关性.
- * 抗芳香制剂系统 ([28] 六氨酸,氨基氨酸) 显示阳性NICS和高TPA.
- * 对于芳香原体,观察到NICS和TPA之间的线性相关性.
- *26个pi电子系统的灵活性增加与激发状态寿命的减少和TPA的增加相关.
结论:
- * TPA值作为宏循环pi结合系统中芳香度的定量实验测量.
- *分子灵活性影响激发状态特性和TPA.
- * NICS,平面性和TPA是扩展氨酸中电子性质的相互连接指标.
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