• 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 >A 'Universal' Spectroscopic Map for the OH Stretching Mode in Alcohols
【24h】

A 'Universal' Spectroscopic Map for the OH Stretching Mode in Alcohols

机译：醇中的OH拉伸模式的“通用”光谱图

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

Empirical maps are presented for the OH stretching vibrations in neat alcohols in which the relevant spectroscopic quantities are expressed in terms of the electric field exerted on the hydrogen atom by the surrounding liquid. It is found, by examination of the four lowest linear alcohols, methanol, ethanol, n-propanol, and n-butanol, that a single map can be used for alcohols with different alkyl groups. This "universal" map is in very good agreement with maps optimized for the individual alcohols but differs from those previously developed for water. This suggests that one map can be used for all alcohols, perhaps even those not examined in the present study. The universal map gives IR lineshapes in good agreement with measured spectra for isotopically dilute methanol and ethanol, while the two-dimensional IR photon echo spectra give results that differ from experiments. The role of non-Condon effects, reorientation dynamics, hydrogen bonding, and spectral diffusion is discussed.
机译：展示实证地图的纯醇中的OH拉伸振动，其中在通过周围液体施加在氢原子上施加在氢原子的电场方面表达的相关光谱量。 通过检查四种最低线性醇，甲醇，乙醇，正丙醇和正丁醇的发现，单个地图可用于具有不同烷基的醇。 这种“通用”地图非常良好地与针对单个醇优化的地图同意，但与以前为水开发的地图相差。 这表明一张地图可以用于所有醇类，也许甚至可能在本研究中未检查的醇。 通用地图与测量的光谱具有同位素稀释的甲醇和乙醇的测量光谱，而二维IR光子回波光谱具有与实验不同的结果。 讨论了非公共效应，重新定位动力学，氢键和光谱扩散的作用。

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