English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer

Heine, N., Fagiani, M. R., Rossi, M., Wende, T., Berden, G., Blum, V., et al. (2013). Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer. Journal of the American Chemical Society, 135(22), 8266-8273. doi:10.1021/ja401359t.

Item is

Files

show Files
hide Files
:
heine_etal_jacs_rev2_final.pdf (Any fulltext), 500KB
 
File Permalink:
-
Name:
heine_etal_jacs_rev2_final.pdf
Description:
-
OA-Status:
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
2013
Copyright Info:
ACS
License:
-
:
heine_etal_SI_jacs_rev2.pdf (Supplementary material), 238KB
 
File Permalink:
-
Name:
heine_etal_SI_jacs_rev2.pdf
Description:
-
OA-Status:
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
2013
Copyright Info:
ACS
License:
-

Locators

show

Creators

show
hide
 Creators:
Heine, Nadja1, Author           
Fagiani, Matias Ruben1, Author           
Rossi, Mariana2, Author           
Wende, Torsten1, Author           
Berden, Giel3, Author
Blum, Volker2, Author           
Asmis, Knut R.1, Author           
Affiliations:
1Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
2Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
3Radboud University Nijmegen, Institute for Molecules and Materials, FELIX facility, Toernooiveld 7, 6525 ED Nijmegen, The Netherlands, ou_persistent22              

Content

show
hide
Free keywords: -
 Abstract: The properties of hydrogen ions in aqueous solution are governed by the ability of water to incorporate ions in a dynamical hydrogen bond network, characterized by a structural variability that has complicated the development of a consistent molecular level description of H+(aq). Isolated protonated water clusters, H+(H2O)n, serve as finite model systems for H+(aq), which are amenable to highly sensitive and selective gas phase spectroscopic techniques. Here, we isolate and assign the infrared (IR) signatures of the Zundel‐type and Eigen‐type isomers of H+(H2O)6, the smallest protonated water cluster for which both of these characteristic binding motifs coexist, down into the terahertz spectral region. We use isomer‐selective double‐resonance population labeling spectroscopy on messenger‐tagged H+(H2O)6∙H2 complexes from 260 to 3900 cm-1. Ab initio molecular dynamics calculations qualitatively recover the IR spectra of the two isomers and allow attributing the increased width of IR bands associated with H‐bonded moieties to anharmonicities rather than excited state lifetime broadening. Characteristic hydrogen‐bond stretching bands are observed below 400 cm-1.

Details

show
hide
Language(s): eng - English
 Dates: 2013-02-122013-05-122013-06-05
 Publication Status: Issued
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/ja401359t
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Journal of the American Chemical Society
  Other : J. Am. Chem. Soc.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: American Chemical Society
Pages: - Volume / Issue: 135 (22) Sequence Number: - Start / End Page: 8266 - 8273 Identifier: ISSN: 0002-7863
CoNE: https://pure.mpg.de/cone/journals/resource/954925376870