Water dynamics: Dependence on local structure probed with vibrational echo correlation spectroscopy

Tobias Steinel, John B. Asbury, S. A. Corcelli, C. P. Lawrence, J. L. Skinner, M. D. Fayer

Research output: Contribution to journalArticle

130 Citations (Scopus)

Abstract

Ultrafast infrared vibrational echo correlation spectroscopy with full phase information of the entire O-D stretching band of HOD in H2O and molecular dynamics simulations are employed to investigate water dynamics. The wavelength dependence of the measured dynamics demonstrates that different hydrogen bonded water species are subject to distinct ultrafast (∼100 fs) local fluctuations and essentially identical slower (0.4 ps to ∼2 ps) structural rearrangements. Simulations provide insights into the nature of the very fast and slower dynamics. The results also show that the theoretical methods that are widely used in the description of nonlinear optical experiments need to be advanced to adequately describe water dynamics.

Original languageEnglish (US)
Pages (from-to)295-300
Number of pages6
JournalChemical Physics Letters
Volume386
Issue number4-6
DOIs
StatePublished - Mar 11 2004

Fingerprint

echoes
Spectroscopy
Water
water
spectroscopy
Stretching
Molecular dynamics
Hydrogen
Infrared radiation
Wavelength
simulation
molecular dynamics
Computer simulation
hydrogen
wavelengths
Experiments

All Science Journal Classification (ASJC) codes

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

Cite this

Steinel, Tobias ; Asbury, John B. ; Corcelli, S. A. ; Lawrence, C. P. ; Skinner, J. L. ; Fayer, M. D. / Water dynamics : Dependence on local structure probed with vibrational echo correlation spectroscopy. In: Chemical Physics Letters. 2004 ; Vol. 386, No. 4-6. pp. 295-300.
@article{b0a8884e048041fcbe87da675032cbd7,
title = "Water dynamics: Dependence on local structure probed with vibrational echo correlation spectroscopy",
abstract = "Ultrafast infrared vibrational echo correlation spectroscopy with full phase information of the entire O-D stretching band of HOD in H2O and molecular dynamics simulations are employed to investigate water dynamics. The wavelength dependence of the measured dynamics demonstrates that different hydrogen bonded water species are subject to distinct ultrafast (∼100 fs) local fluctuations and essentially identical slower (0.4 ps to ∼2 ps) structural rearrangements. Simulations provide insights into the nature of the very fast and slower dynamics. The results also show that the theoretical methods that are widely used in the description of nonlinear optical experiments need to be advanced to adequately describe water dynamics.",
author = "Tobias Steinel and Asbury, {John B.} and Corcelli, {S. A.} and Lawrence, {C. P.} and Skinner, {J. L.} and Fayer, {M. D.}",
year = "2004",
month = "3",
day = "11",
doi = "10.1016/j.cplett.2004.01.042",
language = "English (US)",
volume = "386",
pages = "295--300",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "4-6",

}

Water dynamics : Dependence on local structure probed with vibrational echo correlation spectroscopy. / Steinel, Tobias; Asbury, John B.; Corcelli, S. A.; Lawrence, C. P.; Skinner, J. L.; Fayer, M. D.

In: Chemical Physics Letters, Vol. 386, No. 4-6, 11.03.2004, p. 295-300.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Water dynamics

T2 - Dependence on local structure probed with vibrational echo correlation spectroscopy

AU - Steinel, Tobias

AU - Asbury, John B.

AU - Corcelli, S. A.

AU - Lawrence, C. P.

AU - Skinner, J. L.

AU - Fayer, M. D.

PY - 2004/3/11

Y1 - 2004/3/11

N2 - Ultrafast infrared vibrational echo correlation spectroscopy with full phase information of the entire O-D stretching band of HOD in H2O and molecular dynamics simulations are employed to investigate water dynamics. The wavelength dependence of the measured dynamics demonstrates that different hydrogen bonded water species are subject to distinct ultrafast (∼100 fs) local fluctuations and essentially identical slower (0.4 ps to ∼2 ps) structural rearrangements. Simulations provide insights into the nature of the very fast and slower dynamics. The results also show that the theoretical methods that are widely used in the description of nonlinear optical experiments need to be advanced to adequately describe water dynamics.

AB - Ultrafast infrared vibrational echo correlation spectroscopy with full phase information of the entire O-D stretching band of HOD in H2O and molecular dynamics simulations are employed to investigate water dynamics. The wavelength dependence of the measured dynamics demonstrates that different hydrogen bonded water species are subject to distinct ultrafast (∼100 fs) local fluctuations and essentially identical slower (0.4 ps to ∼2 ps) structural rearrangements. Simulations provide insights into the nature of the very fast and slower dynamics. The results also show that the theoretical methods that are widely used in the description of nonlinear optical experiments need to be advanced to adequately describe water dynamics.

UR - http://www.scopus.com/inward/record.url?scp=1442360869&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=1442360869&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2004.01.042

DO - 10.1016/j.cplett.2004.01.042

M3 - Article

AN - SCOPUS:1442360869

VL - 386

SP - 295

EP - 300

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 4-6

ER -