Isotope Effects in the Resonant Inelastic Soft X-ray Scattering Maps of Gas-Phase Methanol

Authors

A. Benkert, Universität WürzburgFollow
F. Meyer, Universität WürzburgFollow
D. Hauschild, Universität WürzburgFollow
Monika Blum, University of Nevada, Las VegasFollow
W. Yang, Lawrence Berkeley National LaboratoryFollow
R. G. Wilks, Helmholtz-Zentrum Berlin für Materialien und Energie GmbHFollow
M. Bär, University of Nevada, Las VegasFollow
F. Reinert, Universität WürzburgFollow
Clemens Heske, University of Nevada, Las VegasFollow
L. Weinhardt, University of Nevada, Las VegasFollow

Document Type

Article

Publication Date

1-1-2016

Publication Title

Journal of Physical Chemistry A

Volume

120

Issue

14

First page number:

2260

Last page number:

2267

Abstract

The electronic structure of gas-phase methanol molecules (H3COH, H3COD, and D3COD) at atmospheric pressure was investigated using resonant inelastic soft X-ray scattering (RIXS) at the O K and C K edges. We observe strong changes of the relative emission intensities of all valence orbitals as a function of excitation energy, which can be related to the symmetries of the involved orbitals causing an angularly anisotropic RIXS intensity. Furthermore, all observed emission lines are subject to strong spectator shifts of up to -0.9 eV at the O K edge and up to -0.3 eV at the C K edge. At the lowest O K resonance, we find clear evidence for dissociation of the methanol molecule on the time scale of the RIXS process, which is illustrated by comparing X-ray emission spectra of regular and deuterated methanol. © 2016 American Chemical Society.

Language

English

Repository Citation

Benkert, A., Meyer, F., Hauschild, D., Blum, M., Yang, W., Wilks, R. G., Bär, M., Reinert, F., Heske, C., Weinhardt, L. (2016). Isotope Effects in the Resonant Inelastic Soft X-ray Scattering Maps of Gas-Phase Methanol. Journal of Physical Chemistry A, 120(14), 2260-2267.
http://dx.doi.org/10.1021/acs.jpca.6b02636