STRUCTURAL STUDIES OF POLYPYRROLES - OLIGOMERIZATION MECHANISM OF N-METHACRYLOYL PYRROLE

Date

1993-03-11

Author

YURTSEVER, E
Toppare, Levent Kamil
HALLENSLEBEN, ML

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The oligomerization mechanism of N-methacryloyl pyrrole was studied using semiempirical calculations. Starting with the monomer, a large number of dimer, trimer and tetramer structures were optimized. On comparison of alpha-alpha, alpha-beta and beta-beta type pyrrole-pyrrole linkages, it was found that beta-beta type bonding is the most stable form. On average, the introduction of one alpha-type linkage requires about 5 kcal mol-1 of energy.

Subject Keywords

Conducting polymers, Behavior

URI

https://hdl.handle.net/11511/44712

Journal

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE

DOI

https://doi.org/10.1016/0166-1280(93)87087-t

Collections

Department of Chemistry, Article

Citation Formats

E. YURTSEVER, L. K. Toppare, and M. HALLENSLEBEN, “STRUCTURAL STUDIES OF POLYPYRROLES - OLIGOMERIZATION MECHANISM OF N-METHACRYLOYL PYRROLE,” THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 99, no. 1, pp. 1–4, 1993, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/44712.