...
首页> 外文期刊>Scientific reports. >Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse
【24h】

Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse

机译:超快电场脉冲提高液态水氢键网络中的局部不对称性

获取原文

摘要

Condensed phase electron decomposition analysis based on density functional theory has recently revealed an asymmetry in the hydrogen-bond network in liquid water, in the sense that a significant population of water molecules are simultaneously donating and accepting one strong hydrogen-bond and another substantially weaker one. Here we investigate this asymmetry, as well as broader structural and energetic features of water's hydrogen-bond network, following the application of an intense electric field square pulse that invokes the ultrafast reorientation of water molecules. We find that the necessary field-strength required to invoke an ultrafast alignment in a picosecond time window is on the order of 10sup8/sup?Vmsup-1/sup. The resulting orientational anisotropy imposes an experimentally measurable signature on the structure and dynamics of the hydrogen-bond network, including its asymmetry, which is strongly enhanced. The dependence of the molecular reorientation dynamics on the field-strength can be understood by relating the magnitude of the water dipole-field interaction to the rotational kinetic energy, as well as the hydrogen-bond energy.
机译:基于密度函数理论的冷凝阶段电子分解分析最近揭示了液态水中的氢键网络中的不对称性,意义于,在显着的水分子同时捐赠和接受一个强大的氢键和另一个基本较弱的液体。在这里,我们研究了这种不对称的,以及水的氢键网络的更广泛的结构和精力特征,在应用激烈的电场方形脉冲中调用水分子的超快重新定向。我们发现在Pic秒钟时间窗口中调用超快对齐所需的必要场强度为10 8 Δvm -1 。得到的取向各向异性对氢键网络的结构和动力学施加了实验可测量的签名,包括其不对称性,这是强大的增强的。通过将水偶极场相互作用与旋转动能的大小以及氢键能量相关,可以理解分子重新定向动力学对场强的依赖性。

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