Home News About Us Contact Contributors Disclaimer Privacy Policy Help FAQ

Home
Search
Quick Search
Advanced
Fulltext
Browse
Collections
Persons
My eDoc
Session History
Login
Name:
Password:
Documentation
Help
Support Wiki
Direct access to
document ID:


          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents



  history
ID: 493674.2, Fritz-Haber-Institut / Molecular Physics
The structure of Au₆Y⁺ in the gas phase
Authors:Lin, Ling; Claes, Pieterjan; Höltzl, Tibor; Janssens, Ewald; Wende, Torsten; Bergmann, Risshu; Santambrogio, Gabriele; Meijer, Gerard; Asmis, Knut R.; Nguyen, Minh Tho; Lievens, Peter
Language:English
Date of Publication (YYYY-MM-DD):2010-09-20
Title of Journal:Physical Chemistry Chemical Physics
Journal Abbrev.:PCCP
Volume:12
Start Page:13907
End Page:13913
Copyright:© Royal Society of Chemistry 2010
Review Status:not specified
Audience:Experts Only
Abstract / Description:The geometric and electronic structure of the Au₆Y⁺ cation is
studied by gas phase vibrational spectroscopy combined with
density functional theory calculations. The infrared photodissociation
spectrum of Au₆Y⁺Ne is measured in the 95–225 cm⁻¹
energy range and exhibits two characteristic absorption bands at
181 cm⁻¹ and 121 cm⁻¹. Based on DFT/BP86 quantum
chemical calculations, the infrared spectrum is assigned to the
lowest energy species found, an eclipsed C3v geometry. The 3D
structure of Au₆Y⁺ is considerably different from those
previously found for both the neutral Au₆Y (quasi-planar circular
geometry) and the anionic Au₆Y⁻ (planar D6h symmetry). The
different geometries are related to different electronic structures
in agreement with 2D and 3D phenomenological shell models for
metal clusters.
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
External Affiliations:Department of Chemistry, Katholieke Universiteit Leuven, B-3001 Leuven, Belgium. E-mail: minh.nguyen@chem.kuleuven.be;
INPAC-Institute for Nanoscale Physics and Chemistry, Katholieke Universiteit Leuven, B-3001 Leuven, Belgium. E-mail: peter.lievens@fys.kuleuven.be;
Laboratory of Solid State Physics and Magnetism, Katholieke Universiteit Leuven, B-3001 Leuven, Belgium;
East Tokyo Laboratory, Genesis Research Institute, Inc., 717-86 Futamata, Ichikawa 272-0001, Japan
Identifiers:DOI:10.1039/c0cp00911c
URL:http://pubs.rsc.org/en/Content/ArticleLanding/2010...
Full Text:
Sorry, no privileges
The scope and number of records on eDoc is subject to the collection policies defined by each institute - see "info" button in the collection browse view.