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



ID: 60111.0, Fritz-Haber-Institut / Molecular Physics
The infrared absorption spectrum of the gas phase neutral benzoic acid monomer and dimer
Authors:Bakker, Joost M.; Aleese, Luke M.; Helden, Gert von; Meijer, Gerard
Language:English
Date of Publication (YYYY-MM-DD):2003-12-01
Title of Journal:Journal of Chemical Physics
Journal Abbrev.:J. Chem. Phys.
Volume:119
Issue / Number:21
Start Page:11180
End Page:11185
Copyright:2003 American Institute of Physics.
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:The IR absorption spectrum of the jet-cooled benzoic acid monomer and dimer have been recorded throughout the 500–1900 cm–1 range via ion dip spectroscopy. Both spectra show a wealth of vibrational modes and the monomer spectrum is remarkably different from that of the dimer. Density functional theory calculations show quantitative agreement with the experimental data. The C–O–H out-of-plane bending vibration in the dimer is poorly reproduced in the theoretical calculations and a more accurate description of the doubly hydrogen bonded structure is therefore still needed.
Free Keywords:DOUBLE-RESONANCE SPECTROSCOPY; AB-INITIO CALCULATIONS; ION-DIP SPECTROSCOPY; INTERMOLECULAR VIBRATIONS; CONFORMATIONAL LANDSCAPES; STRETCHING VIBRATIONS; SUPERSONIC JETS; AMINO-ACIDS; FLUORESCENCE; TRYPTOPHAN
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
External Affiliations:FOM Institute "Rijnhuizen", Nieuwegein, The Netherlands; Laboratoire de Chimie Physique (UMR 8000–CNRS) Bâtiment 350, Université Paris XI, 91405 Orsay Cedex, France
Identifiers:URL:http://ojps.aip.org/getabs/servlet/GetabsServlet?p...
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.