Charge Density Study on Bullvalene (C10H10 )
In: Zeitschrift für Naturforschung A, Jg. 48 (1993-02-01), Heft 1-2, S. 55-57
serialPeriodical
Zugriff:
Low-temperature single-crystal neutron and X-ray diffraction data were collected for bullvalene (Figure 1). X -N Fourier and multipole static deformation electron density maps were calculated and compared. Atomic mean-square-displacement parameters were analysed in the framework of the rigid-body motion model and the residual amplitudes (UOBS- UTLS) were graphically interpreted. The preliminary results presented here reveal either a bias in the X-ray anisotropic displacement parameters (ADPs) due to improper modelling of the electron density or unresolved errors in the neutron data.
Titel: |
Charge Density Study on Bullvalene (C10H10 )
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Autor/in / Beteiligte Person: | Koritsánszky, T. ; Buschmann, J. ; Luger, P. |
Zeitschrift: | Zeitschrift für Naturforschung A, Jg. 48 (1993-02-01), Heft 1-2, S. 55-57 |
Veröffentlichung: | 1993 |
Medientyp: | serialPeriodical |
ISSN: | 0932-0784 (print) ; 1865-7109 (print) |
DOI: | 10.1515/zna-1993-1-215 |
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