Asghari Gul

Conducting poly(azomethine)esters: synthesis, characterization and insight into the electronic properties using DFT calculations

A poly(azomethine)ester was synthesized via solution phase polycondensation of isophthaloyl chloride and preformed 4-((2-(4-hydroxibenzylideneamino)ethylimino)methyl)phenol (SB). Various aliphatic and aromatic moieties were incorporated in the parent chain to process them and for examining their effect on the conducting properties. To provide an insight into the electronic properties, DFT calculations at the 6-31G/B3LYP level were carried out. Emphasis was placed on exploring the Frontier electron density, energy gaps and electrostatic potential maps to predict their conducting behaviour and electrophilic/nucleophilic reactivity. Our results based on experimental data and theoretical studies showed that in spite of some discrepancies, the electronic properties can be approximated theoretically to design a material having the desired properties for organic electronic devices. The material was characterized by FTIR, 1H NMR spectroscopic studies and elemental analysis.

π-Conjugated Ferrocenyl Schiff Base Polymers: Synthesis, Characterization and Electrical Conductivity

Eight new dihydroxy monomers (SB-8SB) having inbuilt imine/azo moieties and alkoxy side groups were synthesized and polymerized successfully with diacid-chlorides namely isophthaloyl chloride (I), terephthaloyl chloride (T) and preformed 1, 1-dicarbonyl ferrocenyl chloride (Fe), by solution phase polycondensation. The structural characterization of resulting material was carried out using spectral techniques, 1H, 13C NMR and FTIR spectroscopic studies. In term of property exploration, influence of the chain architecture on the solubility behavior and thermal stability was studied. Molecular weight was determined by viscometer. Polymers were doped with iodine to study electrical conductivity of neat and doped macrochains at different temperatures. Attempt was made to explain significant increase registered in the case of doped material.Graphical Abstract.

Ferrocene Based Azo Chromophore Functionalized Polyesters and Its Organic Analogue: Synthesis, Structural Elucidation, Thermal Behavior and IV Characterization

Azo-functionalized polyesters were synthesized via a low temperature solution polycondenstion of 4,4′-bis(4-azo-1-hydroxyphenyl)biphenyl methane (A) with four different diacid chlorides [terephthalyolchloride (T), isophthaloyl chloride (I), trans-azobenzene-4,4′-dicarbonyl chloride (TA) and ferrocenedicarboxylic acid chloride (Fe)]. The synthesized polymers were characterized by FTIR and 1HNMR spectrophotometric techniques and the structural property relation was studied in terms of solubility measurements, WAXRD, bleeding test, viscosities and UV/Visible spectroscopic analysis. Thermal properties were explored by means of thermogravimetric analysis and differential scanning calorimetry. LOI values, calculated by using the Van Krevelen–Hoftyzer equation were found in the range 35–37.8. Conductivity measurements showed that ferrocene based polymer were most conducting material with maximum conductivity 4.56 × 10−4 Scm−1. The material had relative viscosities in range 1.585–1.128 dL/g showing high molecular weights.Graphical Abstract

4,4′-Bis[4-(4′-hydroxyphenyl)phenylazo]diphenyl Ether

4,4′-Bis[4-(4′-hydroxyphenyl)phenylazo]diphenyl ether (3) was prepared by diazotization coupling of 4,4′-oxy dianiline (1) and biphenyl-4-ol (2). The synthesized compound (3) was characterized by elemental analysis, UV-Visible, FTIR and 1H-NMR (nuclear magnetic resonance) spectroscopic studies.