Comparative study of alkane dications (protonated alkyl cations, C(n)H(2n+2)2+) and their isoelectronic boron cation analogues.
Comparative study of the superelectrophilic alkane dications (C(n)H(2n+2)2+), n = 1-5) and their isoelectronic boron cation analogues was carried out using the ab initio method at the MP2/cc-pVTZ level. The structure, bonding, and relative stability of doubly charged alkane dications and monocharged boron cation analogues are discussed. These studies contribute to our general understanding of the superelectrophilic activation of alkyl cations as well as the electrophilic reactivity of C-H and C-C single bonds.
Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California , University Park, Los Angeles, California 90089-1661, United States.
Golam
G
Rasul
G K Surya
GK
Prakash
George A
GA
Olah