...
  • 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 >Lengthening of the Covalent X-H Bond in Heteronuclear Hydrogen Bonds Quantified from Organic and Organometallic Neutron Crystal Structures
【24h】

Lengthening of the Covalent X-H Bond in Heteronuclear Hydrogen Bonds Quantified from Organic and Organometallic Neutron Crystal Structures

机译：从有机和有机金属中子晶体结构定量的异核氢键中共价X-H键的延长

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

The lengthening of the covalent X-H bond in heteronuclear hydrogen bonds is quantified from neutron crystal structures for combinations of the donors N-H and O-H with the acceptors O, N, S, and Cl~-. For N-H…O hydrogen bonds, only high-precision low-temperature crystal structures are used. For the other hydrogen bond types, there are too few neutron crystal structures available to allow restriction to low-temperature data. For all donor/acceptor combinations studied, systematic lengthening of the X-H bond due to the hydrogen bond interaction is definitely confirmed, and this includes the relatively weak sulfur acceptors. The experimental data are discussed in the frame of the valence model of the hydrogen bond, and on this basis, the geometries of a number of hydrogen bonds are predicted for which only X-ray crystal structures have been published.
机译：从供体N-H和O-H与受体O，N，S和Cl-的组合的中子晶体结构中量化了异核氢键中共价X-H键的延长。对于N-H…O氢键，仅使用高精度的低温晶体结构。对于其他氢键类型，可用的中子晶体结构太少，无法限制低温数据。对于所研究的所有供体/受体组合，由于氢键相互作用而导致的X-H键的系统延长得到了肯定的证实，其中包括相对弱的硫受体。在氢键价态模型的框架中讨论了实验数据，并在此基础上，预测了许多氢键的几何结构，仅针对这些结构发表了X射线晶体结构。

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