Ab initio calculations revealed that when a proton is attached to an oxygen atom in the PPBS side chain, its positive charge can delocalize over the Si main chain. The charged Si main chain preferred a trans zigzag structure. This unique behavior of the charged Si main chain has a great potential for the decision on the conformation of PPBS when the system is positively charged.
|Number of pages||4|
|Journal||Journal of Polymer Science, Part A: Polymer Chemistry|
|Publication status||Published - Feb 15 2003|
All Science Journal Classification (ASJC) codes
- Polymers and Plastics
- Organic Chemistry
- Materials Chemistry