Simulation of coupled modification reactions of polymers. V, Formation of conjugated double bonds by substitution of 1,4-polybutadiene coupled with partial double bond shift

The possibility that 1,4-polybutadiene may become coloured by radical substitution coupled with partial double bond shift (allyl rearrangement) was investigated. The fraction of carbon atoms in the resulting conjugated systems and the length of the conjugated systems as a function of both the substi...

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Bibliographic Details
Published in:Polymer (Guilford) 1990-05, Vol.31 (5), p.939-943
Main Authors: MARTL, M. G, SAF, R, HUMMEL, K
Format: Article
Language:English
Subjects:
Applied sciences
Chemical modifications
Chemical reactions and properties
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
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Summary:The possibility that 1,4-polybutadiene may become coloured by radical substitution coupled with partial double bond shift (allyl rearrangement) was investigated. The fraction of carbon atoms in the resulting conjugated systems and the length of the conjugated systems as a function of both the substitution degree and the shift probability were determined by computer simulation. The fraction of C atoms found in conjugated systems by using a model with multiple double bond shift ( alpha , omega -reaction) was up to 0.42. The conugated systems contained significant percentages of up to five double bonds and traces of up to 11 double bonds. This is insufficient for a marked colouring of linear chains, but sufficient if crosslinking via substitution of double bonds is considered. Graphs. 14 ref.--AA
ISSN:0032-3861
1873-2291