eprintid: 16159
rev_number: 23
userid: 1291
dir: disk0/00/01/61/59
datestamp: 2012-11-12 15:01:24
lastmod: 2021-06-12 22:55:37
status_changed: 2012-11-12 15:01:24
type: article
metadata_visibility: show
item_issues_count: 0
eprint_status: archive
creators_name: Relph, RA
creators_name: Guaseo, TL
creators_name: Elliott, BM
creators_name: Kamrath, MZ
creators_name: McCoy, AB
creators_name: Steele, RP
creators_name: Schofield, DP
creators_name: Jordan, KD
creators_name: Viggiano, AA
creators_name: Ferguson, EE
creators_name: Johnson, MA
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creators_email: jordan@pitt.edu
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creators_id: JORDAN
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title: How the shape of an H-Bonded network controls proton-coupled water activation in HONO formation
ispublished: pub
divisions: sch_as_chemistry
full_text_status: public
abstract: Many chemical reactions in atmospheric aerosols and bulk aqueous environments are influenced by the surrounding solvation shell, but the precise molecular interactions underlying such effects have rarely been elucidated. We exploited recent advances in isomer-specific cluster vibrational spectroscopy to explore the fundamental relation between the hydrogen (H)-bonding arrangement of a set of ion-solvating water molecules and the chemical activity of this ensemble. We find that the extent to which the nitrosonium ion (NO+) and water form nitrous acid (HONO) and a hydrated proton cluster in the critical trihydrate depends sensitively on the geometrical arrangement of the water molecules in the network. Theoretical analysis of these data details the role of the water network in promoting charge derealization.
date: 2010-01-15
date_type: published
publication: Science
volume: 327
number: 5963
pagerange: 308 - 312
refereed: TRUE
issn: 0036-8075
id_number: 10.1126/science.1177118
pmid: 20075247
citation:   Relph, RA and Guaseo, TL and Elliott, BM and Kamrath, MZ and McCoy, AB and Steele, RP and Schofield, DP and Jordan, KD and Viggiano, AA and Ferguson, EE and Johnson, MA  (2010) How the shape of an H-Bonded network controls proton-coupled water activation in HONO formation.  Science, 327 (5963).  308 - 312.  ISSN 0036-8075     
document_url: http://d-scholarship-dev.library.pitt.edu/16159/1/licence.txt