Jump to main content
Jump to site search

Issue 23, 2013
Previous Article Next Article

Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

Author affiliations

Abstract

We report a study on the temperature dependence of the core-electron excitation spectra of CO2 and N2, performed using non-resonant inelastic X-ray scattering spectroscopy. The spectra were measured at two temperatures (300 K and 850 K) and at high pressure (40 bar). For CO2 a clear temperature dependence was observed at the C and O near-edge regions. The spectra of CO2 were simulated by density functional theory calculations, and the temperature was accounted for by sampling the initial state molecular geometries using the Metropolis algorithm. This model is able to account for the experimentally observed temperature dependence of the spectrum. The experiment fortifies the status of the non-resonant inelastic X-ray scattering spectroscopy as a valuable technique for physics and chemistry for in situ studies under extreme sample conditions. Especially in the case of gas phase the sample conditions of considerably elevated temperature and pressure are unfeasible for many other spectroscopic techniques.

Graphical abstract: Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

Back to tab navigation

Publication details

The article was received on 04 Feb 2013, accepted on 03 Apr 2013 and first published on 08 May 2013


Article type: Paper
DOI: 10.1039/C3CP50512J
Citation: Phys. Chem. Chem. Phys., 2013,15, 9231-9238
  •   Request permissions

    Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

    J. Inkinen, A. Sakko, K. O. Ruotsalainen, T. Pylkkänen, J. Niskanen, S. Galambosi, M. Hakala, G. Monaco, S. Huotari and K. Hämäläinen, Phys. Chem. Chem. Phys., 2013, 15, 9231
    DOI: 10.1039/C3CP50512J

Search articles by author

Spotlight

Advertisements