Growth mechanisms of polypyrroles

Sargin, PS
Toppare, Levent Kamil
Yurtsever, E
The oligomerization mechanisms of several derivatives of pyrrole have been studied by quantum-mechanical methods. Different growth processes are compared from the point of view of thermodynamic stabilities to gain insight into the branching possibilities. For the simple polypyrrole, polymerization may proceed through either an a or a beta carbon with equal probabilities. When an aldehyde group is attached to the nitrogen, beta positions are definitely favoured owing to strong steric hindrance. For 2-pyrrole carboxaldehyde and 3-pyrrole carboxaldehyde, the most stable forms of the bonding are alternating ones that go through alpha-beta pairs.


Katırcıoğlu, Şenay (Elsevier BV, 1991-09-20)
The structural stability and energetics of Si4 isomers have been investigated by using an empirical tight-binding (ETB) method. It has been found that the most stable Si4 microcluster is an exact tetrahedron with T(d) symmetry.
Particle size effect on the oxidation mechanism of lignites
Kök, Mustafa Verşan (1999-09-27)
In this research, effect of particle size on the oxidation mechanisms of Cayirhan, Tuncbilek and Soma lignites are studied. Non-isothermal thermogravimetry and derivative thermogravimetry (TG/DTG) experiments were carried out for 12 different size fractions. Data obtained from TG/DTG experiments are converted into dimensionless time (instantaneous size/original size) versus dimensionless time (time/burn-out time) to show the progress of oxidation mechanisms of lignites, It was found that lignites show linea...
Synthesis of dipyrrolo-diazepine derivatives via intramolecular alkyne cyclization
Baskin, Dilges; Cetinkaya, Yasin; Balcı, Metin (2018-07-26)
A regioselective approach was developed for the synthesis of dipyrrolo-diazepine derivatives. The synthetic route to dipyrrolo-diazepines first involves the synthesis of dipyrromethanes, followed by reaction of propargyl bromide in the presence of NaH to attach one alkyne functionality to the pyrrole nitrogen atom. Intramolecular heterocyclization with NaH in DMF between the alkyne functionality and pyrrole nitrogen atom gave the desired structures in good yields.
Positional effect of nitrogen substitution on a certain perylene chromophore - A semiempirical treatment
Türker, Burhan Lemi; Gumus, Selcuk (Informa UK Limited, 2008-01-01)
The effect of aza substitution at different sites of a benzimidazole derivative of a perylenetetracarboxylic-3,4,9,10 acid is investigated theoretically. These, as yet nonexistent aza derivatives have been subjected to theoretical analysis at PM3 (RHF) type semiempirical calculations. The results indicate that all the structures are stable but endothermic. Substitution of nitrogen on the bay region of the perylene core is more favored. The electronic and vibrational spectra have also been computed.
Synthesis of ferrocenyl quinones and ferrocenyl based burning rate catalysts
Açıkalın, Serdar; Zora, Metin; Department of Chemistry (2003)
Recently, considerable interest has been devoted to the synthesis of new ferrocene derivatives since properly functionalized ferrocene derivatives could be potential antitumor substances. For this purpose, we have investigated the synthesis of ferrocenyl quinones starting from squaric acid. Thermolysis of ferrocenylsubstituted cyclobutenones, which have been prepared from ferrocenyl cyclobutenediones and alkenyllithiums, affords hydroquinones, which furnish, upon oxidation, ferrocenyl quinones. Ferrocenyl c...
Citation Formats
P. Sargin, L. K. Toppare, and E. Yurtsever, “Growth mechanisms of polypyrroles,” POLYMER, pp. 1151–1155, 1996, Accessed: 00, 2020. [Online]. Available: