SOLR
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1797365343885197312 |
author |
Alhalasah, Wasim |
author2 |
Holze, Rudolf |
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author_facet |
Alhalasah, Wasim, Holze, Rudolf |
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Alhalasah, Wasim |
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Library A |
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Electrochemical Society Transactions. – 2 (23) 45 – 62 (2007); DOI:10.1149/1.2409008 |
contents |
A series of 3-(p-X-phenyl) thiophene monomers (X= –H, –CH3, – OCH3, –COOC2H5, –COCH3,–NO2) was electrochemically polymerized to furnish polymer films that could be reversibly reduced and oxidized (n- and p-doped). The oxidation potentials of the monomers and formal potentials of the n- and p-doping processes of polymers were correlated with resonance and inductive effects of the substituents on the phenyl ring as well as the semiempirically calculated heats of formation of the monomer radical cations. Moreover, the oxidation potentials of the monomers were correlated with the ionization potentials of the monomers calculated using density functional theory. The reactivity for coupling reactions and the major regioselective products of the polymerization reaction of mono- and oligo-3-phenylthiophenes are inferred from the calculated lone electron spin densities of the respective radical cations. The ionization potentials, which correspond to the energies for generating radical cations during oxidative processes were estimated. |
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540 |
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500 - Natural sciences and mathematics |
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540 - Chemistry and allied sciences |
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540 |
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540 |
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3540 |
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540 - Chemistry and allied sciences |
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Online, Free |
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Chemie und Pharmazie |
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science-chemistry |
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Article, E-Article |
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Article, E-Article |
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Article, E-Article |
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Article, E-Article |
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E-Article |
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Electrochemical Society Transactions. – 2 (23) 45 – 62 (2007); DOI:10.1149/1.2409008 |
id |
22-ch1-200900660 |
illustrated |
Not Illustrated |
imprint |
Chemnitz, Technische Universität Chemnitz |
imprint_str_mv |
Online-Ausg.: 2009 |
institution |
DE-105, DE-Gla1, DE-Brt1, DE-D161, DE-540, DE-Pl11, DE-Rs1, DE-Bn3, DE-Zi4, DE-Zwi2, DE-D117, DE-Mh31, DE-D275, DE-Ch1, DE-15, DE-D13, DE-L242, DE-L229, DE-L328 |
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English |
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2024-04-26T03:12:44.536Z |
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alhalasah2009theoreticaltreatmentof3phenylsubstitutedthiophenesandtheirintrinsicallyconductingpolymers |
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2009 |
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Chemnitz |
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Technische Universität Chemnitz |
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ch1-200900660 |
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22 |
spelling |
Alhalasah, Wasim, Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers, Chemnitz Technische Universität Chemnitz, Online-Ausg. 2009 Online-Ressource (Text) Universitätsbibliothek Chemnitz, A series of 3-(p-X-phenyl) thiophene monomers (X= –H, –CH3, – OCH3, –COOC2H5, –COCH3,–NO2) was electrochemically polymerized to furnish polymer films that could be reversibly reduced and oxidized (n- and p-doped). The oxidation potentials of the monomers and formal potentials of the n- and p-doping processes of polymers were correlated with resonance and inductive effects of the substituents on the phenyl ring as well as the semiempirically calculated heats of formation of the monomer radical cations. Moreover, the oxidation potentials of the monomers were correlated with the ionization potentials of the monomers calculated using density functional theory. The reactivity for coupling reactions and the major regioselective products of the polymerization reaction of mono- and oligo-3-phenylthiophenes are inferred from the calculated lone electron spin densities of the respective radical cations. The ionization potentials, which correspond to the energies for generating radical cations during oxidative processes were estimated., 209Th Ecs Meeting, Petr Zuman, Ionization, Monomer, Oxidation, Polymers, Thiophene, Elektrochemie, Monomere, Holze, Rudolf, Electrochemical Society Transactions. – 2 (23) 45 – 62 (2007); DOI:10.1149/1.2409008, text/html https://nbn-resolving.org/urn:nbn:de:bsz:ch1-200900660 Online-Zugriff |
spellingShingle |
Alhalasah, Wasim, Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers, A series of 3-(p-X-phenyl) thiophene monomers (X= –H, –CH3, – OCH3, –COOC2H5, –COCH3,–NO2) was electrochemically polymerized to furnish polymer films that could be reversibly reduced and oxidized (n- and p-doped). The oxidation potentials of the monomers and formal potentials of the n- and p-doping processes of polymers were correlated with resonance and inductive effects of the substituents on the phenyl ring as well as the semiempirically calculated heats of formation of the monomer radical cations. Moreover, the oxidation potentials of the monomers were correlated with the ionization potentials of the monomers calculated using density functional theory. The reactivity for coupling reactions and the major regioselective products of the polymerization reaction of mono- and oligo-3-phenylthiophenes are inferred from the calculated lone electron spin densities of the respective radical cations. The ionization potentials, which correspond to the energies for generating radical cations during oxidative processes were estimated., 209Th Ecs Meeting, Petr Zuman, Ionization, Monomer, Oxidation, Polymers, Thiophene, Elektrochemie, Monomere |
title |
Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers |
title_auth |
Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers |
title_full |
Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers |
title_fullStr |
Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers |
title_full_unstemmed |
Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers |
title_in_hierarchy |
|
title_short |
Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers |
title_sort |
theoretical treatment of 3-phenylsubstituted thiophenes and their intrinsically conducting polymers |
title_unstemmed |
Theoretical Treatment of 3-phenylsubstituted Thiophenes and their Intrinsically Conducting Polymers |
topic |
209Th Ecs Meeting, Petr Zuman, Ionization, Monomer, Oxidation, Polymers, Thiophene, Elektrochemie, Monomere |
topic_facet |
209Th Ecs Meeting, Petr Zuman, Ionization, Monomer, Oxidation, Polymers, Thiophene, Elektrochemie, Monomere |
url |
https://nbn-resolving.org/urn:nbn:de:bsz:ch1-200900660 |
urn |
urn:nbn:de:bsz:ch1-200900660 |
work_keys_str_mv |
AT alhalasahwasim theoreticaltreatmentof3phenylsubstitutedthiophenesandtheirintrinsicallyconductingpolymers, AT holzerudolf theoreticaltreatmentof3phenylsubstitutedthiophenesandtheirintrinsicallyconductingpolymers |