...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Vibrational Spectra and Experimental Assignments of Thymine and Nine of Its Isotopomers
【24h】

Vibrational Spectra and Experimental Assignments of Thymine and Nine of Its Isotopomers

机译：胸腺嘧啶及其九个同位异构体的振动光谱和实验研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

FT-IR and FT-Raman spectra of polycrystalline natural abundance thymine, nine of its isotopic derivatives, and 2-thiothymine (5-methyl-2-thiouracil) are reported from 50 to 3500 cm~(-1). The isotopic derivatives are thymine-6-~(13)C, thymine-α-~(13)C, thymine-~(15)N_2, thymine-α, α, α, 6-d_4, and their respective N-deuterated compounds. The vibrational spectra are assigned using the frequency shifts upon isotopic substitution and are compared to previous assignments, both experimental and ab initio based. Extensive mixing of the vibrations in the region below 1750 cm~(-1) complicates the vibrational assignments in this region. However, many of the exocyclic stretching and bending vibrations are assigned with confidence, and many of the couplings can be ascertained with these thymine derivatives. The spectra of the isotopic derivatives described here resolve many of the controversial assignments in the literature and crrect some previously misassigned vibrational bands. This represents the most complete experimental vibrational study of thymine to date and provides a useful experimental basis for future theoretical calculations.
机译：据报道，多晶天然丰度胸腺嘧啶，其9种同位素衍生物和2-硫代胸腺嘧啶（5-甲基-2-硫尿嘧啶）的FT-IR和FT-Raman光谱范围为50至3500 cm〜（-1）。同位素衍生物为胸腺嘧啶-6-〜（13）C，胸腺嘧啶-α-〜（13）C，胸腺嘧啶-〜（15）N_2，胸腺嘧啶-α，α，α，6-d_4及其各自的氘代N化合物。使用同位素替代时的频移分配振动光谱，并将其与基于实验和从头算的先前分配进行比较。在1750 cm〜（-1）以下的区域中，振动的广泛混合使该区域中的振动分配变得复杂。然而，许多环外拉伸和弯曲振动是有把握地分配的，并且可以用这些胸腺嘧啶衍生物确定许多偶联。此处描述的同位素衍生物的光谱解决了文献中的许多有争议的问题，并弄乱了一些先前分配错误的振动带。这代表了迄今为止对胸腺嘧啶的最完整的实验振动研究，并为将来的理论计算提供了有用的实验基础。

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