Theoretical Justification of the Different Stages of Transformation of 1(3,6)-Phenanthrena-4-(1,4)-benzenacyclohexaphane-2,5-diene to Coronene

[img]PDF - Authorized users only
Language: English
125Kb
Title:Theoretical Justification of the Different Stages of Transformation of 1(3,6)-Phenanthrena-4-(1,4)-benzenacyclohexaphane-2,5-diene to Coronene
Creators:
Rioseras-Garcia, Maria J.
Hernando-Huelmo, Jose M.
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 67, 3, pp. 314-324
Uncontrolled Keywords:Benzoannulenes, Annulenes, Coronene, Cyclophanes, Reaction mechanism, Semiempirical calculations, AM1 method

Abstract

A theoretical study of the molecule 1(3,6)-phenanthrena-4-(1,4)-benzenacyclohexaphane-2,5-diene and of all intermediates of its transformation to coronene has been preformed using the AM1 method. Geometric parameters of the compounds are compared with the goal of confirming the experimental reaction pathway. Possible interconversions of the most probable compounds are also explored. <p>

Title:Theoretical Justification of the Different Stages of Transformation of 1(3,6)-Phenanthrena-4-(1,4)-benzenacyclohexaphane-2,5-diene to Coronene
Creators:
Rioseras-Garcia, Maria J.
Hernando-Huelmo, Jose M.
Uncontrolled Keywords:Benzoannulenes, Annulenes, Coronene, Cyclophanes, Reaction mechanism, Semiempirical calculations, AM1 method
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:67
Number:3
Page Range:pp. 314-324
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20020314UNSPECIFIED
ID Code:1924
Item Type:Article
Deposited On:06 Feb 2009 17:14
Last Modified:06 Feb 2009 16:14

Citation

Rioseras-Garcia, Maria J.; Hernando-Huelmo, Jose M. (2002) Theoretical Justification of the Different Stages of Transformation of 1(3,6)-Phenanthrena-4-(1,4)-benzenacyclohexaphane-2,5-diene to Coronene. Collection of Czechoslovak Chemical Communications, 67 (3). pp. 314-324. ISSN 0010-0765

Repository Staff Only: item control page