【24h】

Study of radiative and non-radiative electronic transitions of 1, 3-dihydroxy naphthalene molecule

机译:1,3-二羟基萘分子的辐射和非辐射电子跃迁的研究

获取原文
获取原文并翻译 | 示例
获取外文期刊封面目录资料

摘要

Polycyclic aromatic hydrocarbons (PAHs) and their substituted derivatives are found in great variety in ature. They form a series of compounds with graded chemical and physical properties which have made them favourite subjects for quntitative evaluation of the relation between the structure and chemical reactivity or other haracteristics. These molecules have been studied for last several years by using coonventional and non-conventional techniques. Photoacoustc (PA) spectroscopy has emerged as a versatile technique to characterize materials in any form with unique capability and sensitivity. This technique not only reveals non-radiative transitions between excited to excited states but also provides information about forbidden singlet-triplet transitions which are not observed normally by the conventional spectroscopy. SThe present paper deals with the PA studies of 1,3-dihydroxy naphthalene (1,3-DHN) molecule. SThe study of electronic transitions of 1,3-DHN is reported using PA and optical spectra in boric acid glass in the region 250-400 nm. The electronic transitions of the molecule observed experimentally, have been interpreted using the optimized geometries and CNDO/S-CI method. A good agreement is found between the experimental and calculated results. Assignments of the observed electronic transitioons are made on the basis of singlet-singlet and singlet-triplet transitions. Vibrations attached to these electronic transitions are attributed to the ground state vibrational modes of naphthalene molecule.
机译:发现多环芳族烃(PAH)及其取代的衍生物的性质多种多样。它们形成了一系列具有分级化学和物理性质的化合物,这使它们成为定量评价结构与化学反应性或其他特性之间关系的最喜欢的主题。这些分子已经通过使用常规技术和非常规技术进行了近几年的研究。光声(PA)光谱技术已成为一种通用技术,以独特的功能和灵敏度来表征任何形式的材料。这项技术不仅揭示了激发态与激发态之间的非辐射跃迁,而且还提供了有关禁止的单重态-三重态跃迁的信息,这是常规光谱法通常无法观察到的。本论文涉及1,3-二羟基萘(1,3-DHN)分子的PA研究。使用硼酸和玻璃在250-400 nm范围内的硼酸光谱和光谱报道了1,3-DHN电子跃迁的研究。实验中观察到的分子的电子跃迁已使用优化的几何结构和CNDO / S-CI方法进行了解释。实验结果和计算结果之间找到了很好的一致性。在单重态-单重态和单重态-三重态转变的基础上进行观察到的电子过渡的分配。附着在这些电子跃迁上的振动归因于萘分子的基态振动模式。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号