Calculated 11B-13C NMR chemical shift relationship in hypercoordinate methonium and boronium ions.
The boronium-carbonium continuum was extended to include hypercoordinated protonated methanes and their boron analogs. The 11B NMR chemical shifts of the hypercoordinated hydriodo boron compounds and the 13C NMR chemical shifts of the corresponding isoelectronic and isostructural carbocations were calculated by using the GIAO-MP2 method. The data show good linear correlation between 11B and 13C NMR chemical shifts, which indicates that the same factors that determine the chemical shifts of the boron nuclei also govern the chemical shifts of carbon nuclei of these hypercoordinated hydriodo compounds.
Rasul
G
G
Donald P. and Katherine B. Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, University Park, Los Angeles, CA 90089-1661, USA.
Prakash
G K
GK
Olah
G A
GA
D008725:Bis-Trimethylammonium Compounds / Q000737:chemistry*; D001895:Boron / Q000737:chemistry*; D001896:Boron Compounds / Q000737:chemistry; D002247:Carbon Isotopes; D007477:Ions; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical
D008725:Bis-Trimethylammonium Compounds; D001896:Boron Compounds; D002247:Carbon Isotopes; D007477:Ions; D001895:Boron