| Autor: |
L. Van Den Enden, Herman J. Geise, H. P. Figeys, C. Van Alsenoy, Paul Geerlings |
| Rok vydání: |
1976 |
| Předmět: |
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| Zdroj: |
Journal of Molecular Structure. 33:69-77 |
| ISSN: |
0022-2860 |
| DOI: |
10.1016/0022-2860(76)80146-9 |
| Popis: |
The structure of tricyclo-(3.1.00 2,4 )exane has been determined by gas phase electron diffraction. The molecule has an inversion centre. The mean carbon—carbon bond length, averaged over both three- and four-membered rings is 1.508 A. A model with equal C-C bond lengths fits to the measured diffraction intensities. The four-membered ring is planar with valency angles of 90°, while the carbon atoms of the three-membered rings form isosceles triangles. Ab initio quantum mechanical calculations at the STO-3G level support this geometry. The valency angle CCC (between three- and four-membered rings) for the equilateral four-membered ring model has been found experimentally to be 109.9°. The average C-H bond distance (1.080 A) is small as a result of increased s -character in these bonds in agreement with reported INDO—LMO calculations. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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