Croatica Chemica Acta, Vol. 54 No. 2, 1981.
Original scientific paper
MIND0/3 Study of the 'Thermal Rearrangements of Bicyclobutanylidene
See-Wing Chiu
; Department of Chemistry, The Chinese University of Hong Kong Shatin, N. T., Hong Kong
Wai-Kee Li
; Department of Chemistry, The Chinese University of Hong Kong Shatin, N. T., Hong Kong
Abstract
It is found that path (i), which is concerted and stereospecific, is
favored both thermodynamically and kinetically, in agreement
with exp~'rimental results. In addition, paths (ii) and (iii) are found
to be competitive with each other and both are highly energetic
due to steric effects, with activation energy being about 50 kcal/mo!.
Keywords
Hrčak ID:
194335
URI
Publication date:
20.7.1981.
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