The vibrational stokes shift of water (HOD in D 2O)

Zhaohui Wang, Yoonsoo Pang, Dana D. Dlott

Research output: Contribution to journalArticlepeer-review


The vibrational Stokes shift of OH stretching transition of water was investigated using equilibrium molecular dynamics simulations. The vibrational Stokes shift depended on pump pulse frequency and time delay which ranged from 112 to -32 cm -1 on varying the parameters. The mid-IR pulse at particular transition frequency excited excess water molecules in configurations which had stronger hydrogen bonding. The nonequilibrium measurements of excited states and equilibrium measurements of ground state determined vibrational Stokes shift.

Original languageEnglish (US)
Pages (from-to)8345-8348
Number of pages4
JournalJournal of Chemical Physics
Issue number18
StatePublished - May 8 2004

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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