ANTI Preference of the Pyramidalized Radical Center to the Two Fluorines in Difluoro Cyclic Compounds.
An extensive study of disubstituted cycloalkanes like CnH2n where n=3,4,5 and 6 using DFT((U)B3LYP/6-31G(d) and 6-311+G(2df,2p)) calculations is presented focusing on the effect of pyramidalization of the radical center. A potential energy surface (PES) analysis shows that the radical prefers to pyr...
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| Format: | Others |
| Language: | English |
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University of North Texas
2008
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| Online Access: | https://digital.library.unt.edu/ark:/67531/metadc6047/ |