Background: Poly(p-phenylene vinylene)s (PPVs) and [2.2.2.2]paracyclophanetetraene (PCT) are both composed of alternating ?-conjugated para-phenylene vinylene units. However, while the former constitute a class polymers that has been used in organic electronics for decades, la...

background: hair dye poisoning, with main toxic component paraphenylene diamine, is a medical emergency. it is on increasing trend in developing countries due to wide availability and low cost of hair dyes. it carries a high mortality and does not have any specific antidote. case report:  twenty three years old patient presented with breathelessness along with difficulty in speaking for one hou...

In this research, a novel 4,4'-Diaminodiphenyl sulfide-based Schiff base compound [6,6'-((1E,1'E)-((thiobis (4,1-phenylene)) bis(azaneylylidene)) bis(methaneylylidene)) bis(3-(diethylamino) phenol) (A)], which is known to have good biological activity and forms the basis of anticancer drugs, was successfully synthesized. Structural characterization synthesized determined by FT-IR 1H-13C NMR, sp...

A systematic comparison of empty tetralactam macrocycles containing 1,3-benzenedicarboxamide, 2,6-pyridinedicarboxamide, and 1,3-adamantanedicarboxamide bridging units finds that macrocycles with adamantyl bridging units exhibit weaker non-covalent affinity for an encapsulated guest. In the case of interlocked squaraine rotaxanes with macrocycles containing phenylene sidewalls, the structural c...

A comprehensive DFT study of a set of oligo(p-phenylene vinylene) molecules is performed to understand the structural and electronic changes upon functionalization. These changes are rationalized within a model considering frontier molecular orbitals of the p-conjugated system and r-bonding orbital by which the functional group is attached to the host molecule. Two simple scalar quantum chemica...

Electrochromic devices offer many technological applications, including flexible displays, dimmable mirrors, and energy-efficient windows. Additionally, adsorbing electrochromic molecular assemblies onto mesoporous metal-oxide surfaces facilitates commercial manufacturing potential (i.e., screen-printing and/or roll-to-roll processing). These systems also demonstrate synthetic versatility, thus...

A new parameter, related to and easily determined from the structure of a benzenoid system and that of a phenylene – the number of inlets (r) – is introduced. The connectivity (Randi}) index of both benzenoid systems and phenylenes is then shown to depend solely on the number of vertices and on r. A simple relation is established between the connectivity index of a phenylene and of the correspo...

Crystallization of all-aromatic heterocyclic polymers typically results in an improvement of their thermo-mechanical properties. Nucleation agents may be used to promote crystallization, and it is well known that the incorporation of nanoparticles, and in particular carbon-based nanofillers, may induce or accelerate crystallization through nucleation. The present study addresses the structural ...

The feasibility of using π-conjugated polymers as next-generation electronic materials is extensively studied; however, their charge mobilities are lower than those of inorganic materials. Here we demonstrate a new design principle for increasing the intramolecular charge mobility of π-conjugated polymers by covering the π-conjugated chain with macrocycles and regularly localizing π-molecular o...

Two thiophene-phenylene semiconductors, bis(2-phenylethynyl) end-substituted oligothiophenes (diPhAc-nTs, n = 2, 3), were synthesized and studied with respect to their optical, electrochemical, structural and electrical properties. The optical and electrochemical properties of the oligomers in solution were investigated by UV-vis absorption and photoluminescence spectroscopies, and cyclic volta...