ISSN:
1572-9028
Keywords:
carbonium ion
;
superacid
;
rearrangement
;
alkane activation
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A theoretical ab initio study of the interconversion of pentacoordinated carbonium ions was carried out. For the isobutonium cations it was found that the respective C-carbonium ions were lower in energy than the H-isobutonium ions. Nevertheless, the interconversion of the 1-H-isobutonium cation in the C-isobutonium ion is a barrierless process. This suggests that product arisen from C–C protonation in liquid superacid and zeolite catalyzed alkane activation may be formed by protonation in the outer and more accessible primary C–H bonds of isobutane, rather than by direct protonation of the inner and more steric demanding C–C bonds.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1019166423058
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