Solvation dynamics in methanol: Experimental and molecular dynamics simulation studies

Sandra J. Rosenthal; Ralph Jimenez; Graham R. Fleming; P. V. Kumar; M. Maroncelli

doi:10.1016/0167-7322(94)00738-1

Solvation dynamics in methanol: Experimental and molecular dynamics simulation studies

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

Research output: Contribution to journal › Article › peer-review

159 Scopus citations

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 language	English (US)
Pages (from-to)	25-56
Number of pages	32
Journal	Journal of Molecular Liquids
Volume	60
Issue number	1-3
DOIs	https://doi.org/10.1016/0167-7322(94)00738-1
State	Published - Jul 1994

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

Access to Document

10.1016/0167-7322(94)00738-1

Cite this

@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 M. Maroncelli",

year = "1994",

month = jul,

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 B.V.",

number = "1-3",

}

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, M.

PY - 1994/7

Y1 - 1994/7

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

AN - SCOPUS:0028463192

SN - 0167-7322

VL - 60

SP - 25

EP - 56

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

IS - 1-3

ER -

Solvation dynamics in methanol: Experimental and molecular dynamics simulation studies

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this