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Theoretical investigation on the conformation of ethylene-norbornene copolymer chains

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Title Theoretical investigation on the conformation of ethylene-norbornene copolymer chains
 
Creator Yilmaz, Sevil Savaşkan
 
Description 923-928
The conformational analysis of ethylene-norbornene chains
(E-N) has been carried out using AM1, MM2, AMBER and OPLS methods taking into consideration the possibility of binding the ethylene monomers to norbornene monomers at various positions, i.e. exo-exo, exo-endo, endo-endo. The chain that is formed by connecting exo-endo positions of the monomers has lower tor-sional barrier energy than those formed with bonds at other posi-tions and has more flexibility. It has been determined that the lowest strain energy has also NEEN and NNEE tetrads. NEEN copolymer has the lowest strain energy according to the molecular mechanics methods. Using the molecular mechanics and semiem-pirical AM1 methods, 1-2-3-4 internal rotation angle (dihedral) (φ) for all E-N copolymers have been calculated.
 
Date 2008-04-30T10:04:38Z
2008-04-30T10:04:38Z
2007-06
 
Type Article
 
Identifier 0376-4710
http://hdl.handle.net/123456789/1205
 
Language en_US
 
Publisher CSIR
 
Source IJCA Vol.46A(6) [June 2007]