MNDO study of the [2 + 3] cycloaddition of nitroethene to formonitrile N-oxide

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Title:MNDO study of the [2 + 3] cycloaddition of nitroethene to formonitrile N-oxide
Creators:
Barański, Andrzej
Cioslowski, Jerzy
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 56, 6, pp. 1167-1172

Abstract

Two regioisomeric pathways have been studied by MNDO method for nitroethene [2 + 3] cycloaddition to formonitrile N-oxide. It has been found that four critical structures are located along each of the pathways. Calculations indicate that both reactions take place in a concerted manner and that their transition states are early. Moreover, it was established that the path leading to 5-nitro-4,5-dihydro-1,2-oxazole is preferred.

Title:MNDO study of the [2 + 3] cycloaddition of nitroethene to formonitrile N-oxide
Creators:
Barański, Andrzej
Cioslowski, Jerzy
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:56
Number:6
Page Range:pp. 1167-1172
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19911167UNSPECIFIED
ID Code:5035
Item Type:Article
Deposited On:22 Feb 2010 11:29
Last Modified:22 Feb 2010 10:29

Citation

Barański, Andrzej; Cioslowski, Jerzy (1991) MNDO study of the [2 + 3] cycloaddition of nitroethene to formonitrile N-oxide. Collection of Czechoslovak Chemical Communications, 56 (6). pp. 1167-1172. ISSN 0010-0765

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