Journal of Physical Chemistry A, Vol.117, No.22, 4664-4668, 2013
Ab Initio/GIAO-CCSD(T) Calculated C-13-B-11 NMR Chemical Shift Relationships in Isoelectronic Hypercoordinate Carbonium and Boronium As Well As Carbenium and Borenium Ions
Good linear correlations between GIAO-CCSD(T) calculated B-11 NMR chemical shifts of hypercoordinate boronium 1-6b and borenium 7-9b ions and C-13 NMR chemical shifts of the corresponding isoelectronic carbonium 1-6a and carbenium 7-9a ions, respectively, were found.