论文标题
受约束水系统中中红外激光脉冲的取向的能量吸收
Orientated energy absorption from mid-infrared laser pulses in constrained water systems
论文作者
论文摘要
在化学和生物系统中，基于共振激发的能量获取非常重要。在这里，使用分子动力学模拟研究了通过大量水和地表水对极化中红外脉冲的分子内谐振吸收。发现基于OH拉伸振动的加热非常迅速，在脉冲辐射下，宽度为1 ps宽度和最大强度为0.5 v/nm的脉冲辐射下达到了超过100 k的温度跳跃。一般各向异性现象是由于水分子的方向与脉搏极化方向之间的关系，这是对对称或不对称OH拉伸振动的优先共振激发的结果。在具有首选偶极取向的水分子的情况下，受到静态电场或空间限制的约束，平行于脉冲的极化方向，能量吸收由对称拉伸模式（约99 tHz）主导，而在垂直的情况下，在垂直的情况下，不对称伸展模式（左右101 thz）。由于定向水分子在化学和生物系统中普遍存在，因此这些关于取向依赖分子内振动的激发的发现对于了解相关生化过程中能量吸收和过渡具有特殊意义。
The energy acquisition based on resonant excitations are of great importance in chemical and biological systems. Here, the intramolecular resonant absorption of polarized mid-infrared pulses by bulk water and surface water is investigated using molecular dynamics simulation. The consequent heating based on the OH stretching vibrations is found to be very prompt, achieving more than 100 K temperature jump under irradiation of a pulse with 1 ps width and maximum intensity of 0.5 V/nm. A general anisotropic phenomenon is manifested as a result of preferential resonant excitation of symmetric or asymmetric OH stretching vibration, depending on the relationships between the orientations of water molecules and the polarized direction of the pulse. In the case of water molecules with the preferred dipole orientation, constrained by applied static electric field or spacial confinement, parallel to the polarized direction of the pulses, the energy absorption is dominated by the symmetric stretching mode (around 99 THz), while in the perpendicular case, the asymmetric stretching mode (around 101 THz) is more efficient. Since orientated water molecules are prevalent in chemical and biological systems, these findings concerning orientation-dependent excitation of intramolecular vibrations are of special significance to understood the energy absorption and transition in relevant biochemical processes.
