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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)


Puni tekst: engleski pdf 1.119 Kb

str. 1-3

preuzimanja: 306

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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

https://hrcak.srce.hr/177734

Datum izdavanja:

22.5.1985.

Posjeta: 651 *