Solvation dynamics in methanol

Experimental and molecular dynamics simulation studies

Sandra J. Rosenthal, Ralph Jimenez, Graham R. Fleming, P. V. Kumar, Mark Maroncelli

Research output: Contribution to journalArticle

140 Citations (Scopus)

Abstract

We have investigated the ultrafast dynamics of methanol by time dependent fluorescent shift experiments and molecular dynamic simulations. The experiments were performed with two different probe molecules, 1-aminonaphthalene and coumarin 153. The molecular dynamic simulations employed these probes as well as small atomic and diatomic solutes. We find a previously unobserved fast decay component in the solvation response of methanol. The molecular dynamics results are in good agreement with this experimental result. The origin of this fast response and the linearity of the solvent response are discussed.

Original languageEnglish (US)
Pages (from-to)25-56
Number of pages32
JournalJournal of Molecular Liquids
Volume60
Issue number1-3
DOIs
StatePublished - Jan 1 1994

Fingerprint

Solvation
solvation
Methanol
Molecular dynamics
methyl alcohol
molecular dynamics
Computer simulation
1-Naphthylamine
simulation
probes
linearity
solutes
Experiments
Molecules
shift
decay
molecules

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Rosenthal, Sandra J. ; Jimenez, Ralph ; Fleming, Graham R. ; Kumar, P. V. ; Maroncelli, Mark. / Solvation dynamics in methanol : Experimental and molecular dynamics simulation studies. In: Journal of Molecular Liquids. 1994 ; Vol. 60, No. 1-3. pp. 25-56.
@article{c55ff04189a54f2bb9a0888f68431443,
title = "Solvation dynamics in methanol: Experimental and molecular dynamics simulation studies",
abstract = "We have investigated the ultrafast dynamics of methanol by time dependent fluorescent shift experiments and molecular dynamic simulations. The experiments were performed with two different probe molecules, 1-aminonaphthalene and coumarin 153. The molecular dynamic simulations employed these probes as well as small atomic and diatomic solutes. We find a previously unobserved fast decay component in the solvation response of methanol. The molecular dynamics results are in good agreement with this experimental result. The origin of this fast response and the linearity of the solvent response are discussed.",
author = "Rosenthal, {Sandra J.} and Ralph Jimenez and Fleming, {Graham R.} and Kumar, {P. V.} and Mark Maroncelli",
year = "1994",
month = "1",
day = "1",
doi = "10.1016/0167-7322(94)00738-1",
language = "English (US)",
volume = "60",
pages = "25--56",
journal = "Journal of Molecular Liquids",
issn = "0167-7322",
publisher = "Elsevier",
number = "1-3",

}

Solvation dynamics in methanol : Experimental and molecular dynamics simulation studies. / Rosenthal, Sandra J.; Jimenez, Ralph; Fleming, Graham R.; Kumar, P. V.; Maroncelli, Mark.

In: Journal of Molecular Liquids, Vol. 60, No. 1-3, 01.01.1994, p. 25-56.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Solvation dynamics in methanol

T2 - Experimental and molecular dynamics simulation studies

AU - Rosenthal, Sandra J.

AU - Jimenez, Ralph

AU - Fleming, Graham R.

AU - Kumar, P. V.

AU - Maroncelli, Mark

PY - 1994/1/1

Y1 - 1994/1/1

N2 - We have investigated the ultrafast dynamics of methanol by time dependent fluorescent shift experiments and molecular dynamic simulations. The experiments were performed with two different probe molecules, 1-aminonaphthalene and coumarin 153. The molecular dynamic simulations employed these probes as well as small atomic and diatomic solutes. We find a previously unobserved fast decay component in the solvation response of methanol. The molecular dynamics results are in good agreement with this experimental result. The origin of this fast response and the linearity of the solvent response are discussed.

AB - We have investigated the ultrafast dynamics of methanol by time dependent fluorescent shift experiments and molecular dynamic simulations. The experiments were performed with two different probe molecules, 1-aminonaphthalene and coumarin 153. The molecular dynamic simulations employed these probes as well as small atomic and diatomic solutes. We find a previously unobserved fast decay component in the solvation response of methanol. The molecular dynamics results are in good agreement with this experimental result. The origin of this fast response and the linearity of the solvent response are discussed.

UR - http://www.scopus.com/inward/record.url?scp=0028463192&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0028463192&partnerID=8YFLogxK

U2 - 10.1016/0167-7322(94)00738-1

DO - 10.1016/0167-7322(94)00738-1

M3 - Article

VL - 60

SP - 25

EP - 56

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

IS - 1-3

ER -