期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 53, 期 10, 页码 2766-2770出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201308609
关键词
electron density; low oxidation states; silicon; sylylones
资金
- Fonds der Chemischen Industrie
- Danish National Research Foundation [DNRF93]
- Deutsche Forschungsgemeinschaft [DFG RO 224/60-1]
An experimental and theoretical charge density study confirms the interpretation of (cAAC)(2)Si as a silylone to be valid. Two separated VSCCs present in the non-bonding region of the central silicon are indicative for two lone pairs. In the experiment, both the two crystallographically independent SiC bond lengths and ellipticities vary notably. It is only the cyclohexyl derivative that shows significant differences in these values, both in the silylones and the germylones. Only by calculating increasing spheres of surrounding point charges we were able to recover the changes in the properties of the charge density distribution caused by weak intermolecular interactions. The nitrogen-carbene-carbon bond seems to have a significant double-bond character, indicating a singlet state for the carbene carbon, which is needed for donor acceptor bonding. Thus the sum of bond angles at the nitrogen atoms seems to be a reasonable estimate for singlet versus triplet state of cAACs.
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