𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Simple prediction of cycloaddition orientation: II—2+2 thermal cycloadditions. Scope and limitations of the method

✍ Scribed by C. Minot; Nguyên Trong Anh


Book ID
104207255
Publisher
Elsevier Science
Year
1977
Tongue
French
Weight
411 KB
Volume
33
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

✦ Synopsis


In the accompanying paper, it has been suggested that, in a cycloaddition, the first ~r bond to be formed is that corresponding to the greatest overlap stabilization. This rule has now been tested successfully on over one hundred 2 + 2 cycloadditions.

Comparisons of our method with other theoretical treatments are made and the reasons for the discrepancies pointed out.

The choice of parameters (for Hiickel calculations) or molecular geometries (for CNDO/2 calculations) is discussed. No particular advantage of CNDO/2 calculations over Hiickel calculations has been observed.


📜 SIMILAR VOLUMES