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The energy acquisition based on resonant excitations are of great importancein chemical and biological systems. Here, the intramolecular resonantabsorption of polarized mid-infrared pulses by bulk water and surface water isinvestigated using molecular dynamics simulation. The consequent heating basedon the OH stretching vibrations is found to be very prompt, achieving more than100 K temperature jump under irradiation of a pulse with 1 ps width and maximumintensity of 0.5 V/nm. A general anisotropic phenomenon is manifested as aresult of preferential resonant excitation of symmetric or asymmetric OHstretching vibration, depending on the relationships between the orientationsof water molecules and the polarized direction of the pulse. In the case ofwater molecules with the preferred dipole orientation, constrained by appliedstatic electric field or spacial confinement, parallel to the polarizeddirection of the pulses, the energy absorption is dominated by the symmetricstretching mode (around 99 THz), while in the perpendicular case, theasymmetric stretching mode (around 101 THz) is more efficient. Since orientatedwater molecules are prevalent in chemical and biological systems, thesefindings concerning orientation-dependent excitation of intramolecularvibrations are of special significance to understood the energy absorption andtransition in relevant biochemical processes.

Orientated energy absorption from mid-infrared laser pulses in constrained water systems