Isomer structure of high-pressure hydrofullerene probed by soft X-ray emission

E.Z Kurmaev,A Moewes,T Ida,S Danielache,K Endo,I.O Bashkin,A.I Harkunov,A.P Moravsky

doi:10.1016/j.theochem.2003.07.005

Isomer structure of high-pressure hydrofullerene probed by soft X-ray emission

E.Z Kurmaev, A Moewes + Show 6 more

https://doi.org/10.1016/j.theochem.2003.07.005

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Journal: Journal of Molecular Structure: THEOCHEM	Publication Date: Sep 24, 2003
Citations: 5

Affiliation: Institute of Problems of Chemical Physics, University of Saskatchewan, Kanazawa University, Institute of Solid State Physics, Russian Academy of Sciences

#MO LCAO Calculations #Carbon Kα + Show 8 more

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Abstract

The X-ray fluorescence from C 60H x , x=37.5−46.5, hydrofullerenes prepared under high hydrogen pressure and high temperature is measured to probe the occupied C 2p states. We find that the carbon Kα (2p→1s transition) X-ray emission spectra are insensitive to the chemical composition of the compounds studied. The experimental spectra are compared to those obtained for C 60H 36 using MO LCAO calculations. We conclude that the D 3 d isomer symmetry describes the molecular structure of C 60H x hydrofullerenes studied more adequately than the T and T h symmetry.

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