%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