Theoretical investigation of the tunable behavior of p-n copolymers based on oligothiophenes and 1,4-bis(oxadiazolyl)-benzene

Article Abstract:

Semiempirical calculations are carried out on model oligomers to investigate the tunable behavior of p-n copolymers with the repeating units constructed by oligothiophenes as the [pi]-excessive type blocks and 1,4-bis(oxadiazolyl) benzene as the [pi]-deficient type block. The analysis has shown that the backbone modification of the p-n copolymer, that is, changing the number of thiophene unit in the p-n diblock copolymer, has modified the optical properties of the polymer.

Optical properties, Copolymers, Thiophene

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Ferroelectricity of pyridinium perchlorate, a molecular level point of view

Article Abstract:

The order-disorder character of ferroelectricity in PyCIO(sub 4) was investigated using the dynamic H NMR spectroscopy. The results revealed that the paraelectric-ferroelectric phase transition temperature increases with the size and polarizability of the constituting anions suggesting that the main interaction for ferroelectric ordering occurs through an indirect superexchange mechanism.

Science & research, Research, Electric properties, Transition state (Chemistry), Pyridinium compounds, Chlorates

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Solid-state (super 2)H NMR studies of cyclophosphazene inclusion compounds: Order and dynamics of the benzene guests

Article Abstract:

Variable-temperature (super 2)H NMR investigations are carried out to study the molecular behavior of predeuterated benzene in the inclusion compound with tris(1,2-dioxyphenyl)cyclotriphosphazene. A quantitative analysis of the experimental data is achieved by appropriate computer simulations taking into account various motions of the benzene guests.

Phosphazo compounds, Polyphosphazenes

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