Work

Ultrafast Energy Transfer from the Intramolecular Bending Vibration to Librations in Liquid Water

Year: 2009

Type: article

Abstract: A theoretical study of the water bend-to-libration energy transfer in liquid H(2)O has been performed by means of nonequilibrium classical molecular dynamics computer simulations. Attention has been focused on the time scale and mechanism of the decay of the fundamental H(2)O bend vibration and the related issue of the decay of water librational (hindered rotational) excitations, including the important role of that for the excited molecule itself. The time scales found are 270 fs for the decay of the average energy of an H(2)O molecule excited to the nu = 1 state of the bending oscillator and less than 100 fs for excess rotational (librational) kinetic energy, both consistent with recent ultrafast infrared experimental results. The energy flow to the excited molecule rotation and through the first several solvent shells around the excited water molecule is discussed in some detail.

Source: The Journal of Physical Chemistry A

DOI: 10.1021/jp9022713

Authors: Francesca Ingrosso, Rossend Rey, Thomas Elsaesser, James T. Hynes

Institutions: University of Colorado Boulder, École Normale Supérieure - PSL, Max-Born-Institute for Nonlinear Optics and Short Pulse Spectroscopy, Processus d'Activation Sélective par Transfert d'Énergie Uni-électronique ou Radiatif, Universitat Politècnica de Catalunya

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W2001867204

FWCI: 4.396

Cites: 51

Cited by: 61

Related to: 10