English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  The Free OD at the Air/D2O Interface is Structurally and Dynamically Heterogeneous

Tong, Y., Vila Verde, A., & Campen, K. (2013). The Free OD at the Air/D2O Interface is Structurally and Dynamically Heterogeneous. The Journal of Physical Chemistry B, 117(39), 11753-11764. doi:10.1021/jp406577v.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-79D2-4 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0025-7560-9
Genre: Journal Article

Files

show Files
hide Files
:
1935698.pdf (Publisher version), 3MB
 
File Permalink:
-
Name:
1935698.pdf
Description:
-
Visibility:
Restricted (Max Planck Institute of Colloids and Interfaces, MTKG; )
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show

Creators

show
hide
 Creators:
Tong, Yujin, Author              
Vila Verde, Ana1, 2, Author              
Campen, Kramer, Author              
Affiliations:
1Reinhard Lipowsky, Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863327              
2Physics Center, University of Minho, Campus de Gualtar, 4710-057 Braga, Portugal, ou_persistent22              

Content

show
hide
Free keywords: -
 Abstract: Air/water interfaces are both ubiquitous in the environment and technology and a useful model for hydrophobic solvation more generally. Previous experimental and computational studies have highlighted that molecular level markers of such an extended hydrophobic surface are broken hydrogen bonds and, as a result, OH groups that are not hydrogen bond donors: free OH. Understanding both the time-averaged structure and structural dynamics of these free OH thus plays a critical role in developing a quantitative, molecular level understanding of hydrophobic solvation. Here we show, by combining polarization-dependent vibrational sum frequency (VSF) spectroscopy and molecular dynamics simulation, that the free OD of D2O at the air/D2O interface is structurally and dynamically heterogeneous: that longer lived free OD groups tend to point closer to the surface normal, have a narrower orientational distribution, and are closer to the vapor phase. Knowledge of this structural heterogeneity should help link existing descriptions of hydrophobic solvation that focus either on the termination of the bulk hydrogen bond network or local density fluctuations. In addition the results of this study clarify that schemes to increase signal-to-noise ratios in VSF measurements by delaying the visible pulse relative to the infrared should be used only with independent constraints on the system’s structural dynamics.

Details

show
hide
Language(s): eng - English
 Dates: 2013-07-032013-09-032013-09-032013
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1021/jp406577v
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: The Journal of Physical Chemistry B
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 117 (39) Sequence Number: - Start / End Page: 11753 - 11764 Identifier: ISSN: 1520-6106
CoNE: https://pure.mpg.de/cone/journals/resource/1000000000293370_1