skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on January 12, 2017

Title: Infrared spectroscopy and structure of (NO)n clusters

Nitrogen oxide clusters (NO)n have been studied in He droplets via infrared depletion spectroscopy and by quantum chemical calculations. The ν1 and ν5 bands of cis-ON-NO dimer have been observed at 1868.2 and 1786.5 cm–1, respectively. Furthermore, spectral bands of the trimer and tetramer have been located in the vicinity of the corresponding dimer bands in accord with computed frequencies that place NO-stretch bands of dimer, trimer, and tetramer within a few wavenumbers of each other. In addition, a new line at 1878.1 cm–1 close to the band origin of single molecules was assigned to van der Waals bound dimers of (NO)2, which are stabilized due to the rapid cooling in He droplets. Spectra of larger clusters (n > 5), have broad unresolved features in the vicinity of the dimer bands. As a result, experiments and calculations indicate that trimers consist of a dimer and a loosely bound third molecule, whereas the tetramer consists of two weakly bound dimers.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [2] ;  [3] ;  [1]
  1. Univ. of Southern California, Los Angeles, CA (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  3. DSITP, Frederick National Lab. for Cancer Research, Frederick, MD (United States)
Publication Date:
OSTI Identifier:
1254296
Report Number(s):
IS-J--8971
Journal ID: ISSN 1089-5639
Grant/Contract Number:
1362535; HHSN261200800001E; AC01-07CH11358
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 120; Journal Issue: 4; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY He droplets; nitrogen monoxide; clusters; infrared spectroscopy