A theoretical approach to the polymerization of N-pyrrolyl ethyl vinyl ether

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dc.citation.epage176en_US
dc.citation.issueNumber1-3en_US
dc.citation.spage171en_US
dc.citation.volumeNumber430en_US
dc.contributor.authorYurtsever, M.en_US
dc.contributor.authorToppare L.en_US
dc.contributor.authorYaǧci, Y.en_US
dc.date.accessioned2016-02-08T10:45:11Z
dc.date.available2016-02-08T10:45:11Z
dc.date.issued1998en_US
dc.departmentDepartment of Chemistryen_US
dc.description.abstractThe oligomerization mechanism of N-pyrrolyl ethyl vinyl ether is studied for two different routes of polymerization by using quantum mechanical calculations. Model compounds for oligomerization between monomers and monomer-pyrrole systems are optimized fully via semiempirical methods. By comparing the enthalpy changes of these two processes, it is found that generally the binding of pyrrole groups on the carbon backbone is favoured; however, the self-polymerization is also thermodynamically competitive. These results support the previous experimental evidence. © 1998 Elsevier Science B.V.en_US
dc.description.provenanceMade available in DSpace on 2016-02-08T10:45:11Z (GMT). No. of bitstreams: 1 bilkent-research-paper.pdf: 70227 bytes, checksum: 26e812c6f5156f83f0e77b261a471b5a (MD5) Previous issue date: 1998en
dc.identifier.issn1661280
dc.identifier.urihttp://hdl.handle.net/11693/25464
dc.language.isoEnglishen_US
dc.source.titleJournal of Molecular Structure: THEOCHEMen_US
dc.subjectConducting polymersen_US
dc.subjectN-pyrrolyl ethyl vinyl etheren_US
dc.subjectSemiempirical methodsen_US
dc.titleA theoretical approach to the polymerization of N-pyrrolyl ethyl vinyl etheren_US
dc.typeArticleen_US

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