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  Valence and C 1s core-level photoelectron spectra of butan-2-ol

Rennie, E. E., Powis, I., Hergenhahn, U., Kugeler, O., Marburger, S., & Watson, T. N. (2002). Valence and C 1s core-level photoelectron spectra of butan-2-ol. Journal of Physical Chemistry A, 106, 12221-12228.

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 Creators:
Rennie, E. E.1, Author
Powis, I.2, Author
Hergenhahn, U.3, Author           
Kugeler, O.3, Author           
Marburger, S.2, Author
Watson, T. N.2, Author
Affiliations:
1Max Planck Society, ou_persistent13              
2Univ Nottingham, Sch Chem, Nottingham NG7 2RD, England; Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany, ou_persistent22              
3Electron Spectroscopy Group (ELSPEC), Max Planck Institute for Plasma Physics, Max Planck Society, ou_1856298              

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 Abstract: Photoelectron spectra of the chiral molecule butan-2-ol spanning the full inner and outer valence regions and the C Is core region are presented. The valence spectra are interpreted with the aid of outer valence Green's function calculations of the ionization energies. These were performed for each of nine possible conformational structures, each structure having been optimized by density functional calculations. The preferred gas-phase conformations can hence be identified. An assignment of the C Is core spectrum is also achieved, and the vibrational structure observed on one band is fitted with two progressions. These are identified as C-H stretching and C-OH bending motions localized on the chiral -CHOH- carbanol carbon atom.

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Language(s): eng - English
 Dates: 2002
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 21155
ISI: 000179984900006
 Degree: -

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Title: Journal of Physical Chemistry A
  Alternative Title : J. Phys. Chem. A
Source Genre: Journal
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Pages: - Volume / Issue: 106 Sequence Number: - Start / End Page: 12221 - 12228 Identifier: ISSN: 1089-5639