Theoretical Studies on Structures and Electronic State of Alkyl-Substituted Ethyl Cations
This paper describes the gas phase structural details for a series of alkyl-substituted ethyl cations 1–11 by mainly natural bond orbital (NBO) analysis. For the simplest ethyl cation, two kinds of optimized structures (nonclassical 1 and classical 2) were found to have minima on the potential surfa...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/406904 |
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