eprintid: 18422
rev_number: 22
userid: 1419
dir: disk0/00/01/84/22
datestamp: 2013-04-30 20:54:31
lastmod: 2021-06-12 22:55:30
status_changed: 2013-04-30 20:54:31
type: article
metadata_visibility: show
item_issues_count: 0
eprint_status: archive
creators_name: Guasco, TL
creators_name: Elliott, BM
creators_name: Johnson, MA
creators_name: Ding, J
creators_name: Jordan, KD
creators_email: 
creators_email: 
creators_email: 
creators_email: 
creators_email: jordan@pitt.edu
creators_id: 
creators_id: 
creators_id: 
creators_id: 
creators_id: JORDAN
title: Isolating the spectral signatures of individual sites in water networks using vibrational double-resonance spectroscopy of cluster isotopomers
ispublished: pub
divisions: sch_as_chemistry
full_text_status: public
abstract: We report the spectral signatures of water molecules occupying individual sites in an extended H-bonding network using mass-selective, double-resonance vibrational spectroscopy of isotopomers. The scheme is demonstrated on the water heptamer anion, (H2O)7̄ where we first randomly incorporate a single, intact D2O molecule to create an ensemble of isotopomers. The correlation between the two OD stretching frequencies and that of the intramolecular DOD bending transition is then revealed by photochemical modulation of the isotopomer population responsible for particular features in the vibrational spectrum. The observed patterns confirm the assignment of the dominant doublet, appearing most red-shifted from the free OD stretch, to a single water molecule attached to the network in a double H-bond acceptor (AA) arrangement. The data also reveal the unanticipated role of accidentally overlapping transitions, where the highest-energy OD stretch, for example, occurs with its companion OD stretch obscured by the much stronger AA feature. © 2010 American Chemical Society.
date: 2010-08-05
date_type: published
publication: Journal of Physical Chemistry Letters
volume: 1
number: 15
pagerange: 2396 - 2401
refereed: TRUE
id_number: 10.1021/jz100730q
citation:   Guasco, TL and Elliott, BM and Johnson, MA and Ding, J and Jordan, KD  (2010) Isolating the spectral signatures of individual sites in water networks using vibrational double-resonance spectroscopy of cluster isotopomers.  Journal of Physical Chemistry Letters, 1 (15).  2396 - 2401.      
document_url: http://d-scholarship-dev.library.pitt.edu/18422/1/licence.txt