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

作者：Rasul Golam^*; Prakash G K Surya; Olah George A

来源：Journal of Physical Chemistry A, 2013, 117(22): 4664-4668.

DOI：10.1021/jp400754j

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.

• 出版日期2013-6-6