Croatica Chemica Acta, Vol. 58 No. 1, 1985.
Kratko priopćenje
MNDO Study of Helvetane and Israelane
Wai-Kee Li
; Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories (Hong Kong)
Tien-Yau Luh
; Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories (Hong Kong)
See-Wing Chiu
; Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories (Hong Kong)
Sažetak
Applying MNDO approximatlon, the heats of formation (LlHt) and structures of the navel compounds helvetane (1) and israelane
(2) have been calculated. The MNDO sn, for 1 and 2 are 336 and
719 kcal/mol, respectively, in agreement with the previous prediction
that 1 is more stable than 2. In addition, in view of the structures
calculated, the large positive LlHt values of 1 and 2 are most
likely the result of these malecules' angular strain.
Ključne riječi
Hrčak ID:
177734
URI
Datum izdavanja:
22.5.1985.
Posjeta: 948 *