Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
ELECTROINITIATED POLYMERIZATION OF HALOPHENOLS - ELECTROINITIATION POTENTIAL LUMO RELATIONS
Date
1988-11-01
Author
TURKER, L
KISAKUREK, D
SEN, S
Toppare, Levent Kamil
Akbulut, Ural
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
199
views
0
downloads
Cite This
Electroinitiated polymerizations can be carried out by direct electron transfer via constant potential electrolysis.1–3 In doing so, the anodic (Ep, a) and the cathodic (Ep, c) potentials of the monomers must be measured by cyclic voltammetry. The cathodic peak potentials of halophenols were measured on Pt0 electrode versus Ag0/Ag+ in acetonitrile. Electroinitiated polymerization of bis(pyridine), bis(4‐chloro‐2,6‐dibromophenoxide) copper (II) complex was studied in dimethylformamide‐tetrabutylammonium fluoroborate by direct electron transfer from the cathode. Poly(phenylene oxides) obtained from the anolyte revealed that the monomer undergoes 1,2 as well as 1,4 addition reactions. Lowest unoccupied molecular orbital energies of the monomers were calculated by Hückel molecular orbital theory. The experimental Ep, c values were correlated to theoretical LUMO energies and electron densities using a multivariable linear regression model.
Subject Keywords
Physical and Theoretical Chemistry
,
Materials Chemistry
,
Polymers and Plastics
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/48700
Journal
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
DOI
https://doi.org/10.1002/polb.1988.090261207
Collections
Department of Chemistry, Article
Suggestions
OpenMETU
Core
Bosonic helium clusters doped by alkali metal cations: interaction forces and analysis of their most stable structures
Marinetti, F.; Coccia, E.; Bodo, E.; Gianturco, F. A.; Yurtsever, E.; Yurtsever, M.; Yıldırım, Erol (Springer Science and Business Media LLC, 2007-07-01)
Ab initio potentials are computed for alkali metal cationic partners interacting with He-4 and an overall many-body potential is constructed for each of the ionic dopants in helium clusters. The structures are then obtained via a genetic algorithm approach and results compared with Basin-Hopping Monte Carlo simulations. The classical arrangements are analyzed and quantum effects discussed in comparison with what has been found with Diffusion Monte Carlo calculations. Further corrections to the classical pic...
Peripherally B and N substituted cyclacenes
Türker, Burhan Lemi; Gumus, S (Elsevier BV, 2004-10-25)
AM1 (RHF) type semiempirical quantum chemical calculations have been applied to cyclacenes whose fusion points and peri positions of one of their peripheral circuits are substituted with nitrogen and boron, respectively. The structures have been found to be stable but endothermic (except for R = 8 and 9) in nature. The nitrogen and boron (the fusion points peri positions, respectively,) substitution have been found to have stabilizing effect on the parent unsubstituted cyclacenes. Some geometrical and physi...
Quantum chemical treatment of nitroguanidine and its mono ionic forms
Türker, Burhan Lemi (Elsevier BV, 2004-07-26)
Nitroguanidine and its mono ionic forms have been subjected to AM1 (UHF) type semiempirical as well as 6-31G** (UHF) type ab initio molecular orbital calculations. The stability order has been found to be anion > neutral > cation. The calculations have revealed that contrary to some other explosive chemicals, the charge development are accompanied by only moderate changes in bond lengths and bond angles in the case of nitroguanidine.
Resveratrol and its analogues resveratrol-dihydroxyl isomers: semi-empirical SCF-MO calculations
Erkoç, Şakir; Keskin, N; Erkoc, F (Elsevier BV, 2003-08-01)
The structural and electronic properties of resveratrol and its three analogues resveratrol-dihydroxyl isomers have been investigated theoretically by performing semi-empirical self-consistent field molecular orbital theory calculations. The geometry of the systems have been optimized and the electronic properties have been calculated at the level of AMI method.
Theoretical investigation of quercetin and its radical isomers
Erkoc, E; Erkoc, F; Keskin, N (Elsevier BV, 2003-08-01)
The structural and electronic properties of quercetin and its five radical isomers have been investigated theoretically by performing semi-empirical molecular orbital theory calculations. The geometry of the systems have been optimized and the electronic properties of the systems considered have been calculated by semi-empirical self-consistend-field molecular orbital theory at the level AM1 within UHF formalism in their ground state. Conclusions have been drawn by comparing with experimental results.
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
L. TURKER, D. KISAKUREK, S. SEN, L. K. Toppare, and U. Akbulut, “ELECTROINITIATED POLYMERIZATION OF HALOPHENOLS - ELECTROINITIATION POTENTIAL LUMO RELATIONS,”
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
, pp. 2485–2498, 1988, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/48700.