WFRF:(Potts J.)
Search: WFRF:(Potts J.) > A study of the vale...
- 45 of 72
- Previous record
- Next record
- To hitlist
- Holland, D. M. P. (author)
A study of the valence shell electronic structure of the 5-halouracils
- Article/chapterEnglish2008
Publisher, publication year, extent ...
- Elsevier BV,2008
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:uu-107889
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-107889URI
- https://doi.org/10.1016/j.chemphys.2008.06.011DOI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- Valence shell photoelectron spectra of the 5-halouracils have been recorded using synchrotron radiation at photon energies of 40 and 80 eV. Photoelectron angular distributions have been determined and these provide an experimental means of deducing the extent to which the molecular orbitals possess predominantly sigma, pi or halogen np character. In chloro-, bromo- and iodouracil two peaks, associated with the essentially halogen atom lone-pair orbitals, have been observed. The separation between these peaks, and the value of their photoelectron asymmetry parameters at an excitation energy of 40 eV, are compared with results for the corresponding orbitals in the halobenzenes and halothiophenes. Vertical ionisation energies and spectral intensities have been evaluated using the many-body Green's function approach, thereby enabling theoretical spectra to be derived. Assignments have been proposed for most of the structure observed in the valence shell photoelectron spectra based upon the available experimental and theoretical evidence.
Subject headings and genre
- NATURVETENSKAP Kemi Fysikalisk kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences Physical Chemistry hsv//eng
- halouracils
- phoroelectron spectroscopy
- electronic structure
- many-body Green's function approach
- Physical chemistry
- Fysikalisk kemi
Added entries (persons, corporate bodies, meetings, titles ...)
- Potts, A. W. (author)
- Karlsson, L.Uppsala universitet,Fysiska institutionen (author)
- Zaytseva, I. L. (author)
- Trofimov, A. B. (author)
- Schirmerr, J. (author)
- Uppsala universitetFysiska institutionen (creator_code:org_t)
Related titles
- In:Chemical Physics: Elsevier BV352:1-3, s. 205-2160301-01041873-4421
Internet link
Find in a library
- Chemical Physics (Search for host publication in LIBRIS)
To the university's database
- 45 of 72
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Holland, D. M. P ...
- Potts, A. W.
- Karlsson, L.
- Zaytseva, I. L.
- Trofimov, A. B.
- Schirmerr, J.
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Chemical Science ...
- and Physical Chemist ...
- Articles in the publication
- Chemical Physics
- By the university
- Uppsala University
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
