Molecular interactions in 3-carboxy-2-diphenylphosphinoylcyclopentanone |
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| Authors: | Kolbe Alfred Plass Monika Zurawiński Remigiusz Kie?basiński Piotr Miko?ajczyk Marian |
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| Institution: | 1. Institut für Physikalische Chemie, Martin-Luther-Universität, Mühlpforte, D-06108 Halle (Saale), Germany;2. Department of Heteroorganic Chemistry, Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Pl-90363 ?ód?, Sienkiewicza 113, Poland;1. Centre of Molecular Studies, Polish Academy of Sciences, Sienkiwiecza 112, PL 90-363 Lodz, Poland;2. Institute of Physical Chemistry, Martin Luther Universität, Kurt-Mothes-Str.2, D 06120 Halle, Germany;1. Depto. de Qu??mica Orgánica I, Fac. de C.C. Qu??micas, Universidad Complutense de Madrid, Ciudad Universitaria, 28040 Madrid, Spain;2. Depto. de Qu??mica Orgánica y Biolog??a, Fac. de Ciencias, UNED, Senda del Rey 9, 28040 Madrid, Spain |
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| Abstract: | The results of the X-ray structure analysis of the title compound (I) have been reported in Synthesis (1997) 356]. Now we continue our efforts to understand the energy situation and the arrangements in the crystal, which will be strongly influenced by the formation of hydrogen bonds with the help of the results of theoretical calculations. Furthermore, the IR spectroscopic measurements will be discussed in comparison to the X-ray data. The IR experiments elucidate the molecular arrangement in solution. Using different solvents, equilibrium states with coexisting conformational and associative arrangements were observed. Unexpectedly, the alternative use of the solvents CHCl(3) or CDCl(3) has different influence on the equilibrium arrangement of I in solution. |
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