%0 Journal Article %A Falvey, Daniel E. %D 2015 %T Nitrenium Ion Analogues of Nonclassical Carbocations: Cyclopropylnitrenium, Allylnitrenium, and Azetidenium Ions and Mechanisms for Their Interconversion %U https://acs.figshare.com/articles/journal_contribution/Nitrenium_Ion_Analogues_of_Nonclassical_Carbocations_Cyclopropylnitrenium_Allylnitrenium_and_Azetidenium_Ions_and_Mechanisms_for_Their_Interconversion/2208727 %R 10.1021/ol503488b.s001 %2 https://acs.figshare.com/ndownloader/files/3844258 %K allylnitreium 6 S %K InterconversionCyclopropylnitrenium 3 S %K Nitrenium Ion Analogues %K bisected cyclopropylcarbinyl cation %K N analogue %X Cyclopropylnitrenium 3S, allylnitreium 6S, and azetidenium (i.e., the nitrogen analogue of cyclobutylcarbenium) ions were examined using density functional theory and a complete basis set method. Similarly to the carbon analogues, the singlet states of these species have several local minima with nonclassical bonding. Structures characterized include 3S, an N analogue of the bisected cyclopropylcarbinyl cation, 11S, an N analogue of the bicyclobutonium ion, and 6S, an unsymmetric 2-azidinylcarbinyl cation. %I ACS Publications