Effect of Side Groups on Conformational Characteristics of Containing Phosphor, Fluoride, Oxygen and Silane Polymers

Ma Haizhu, Han Wentao,Tao Fei

CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE(2018)

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Abstract
Formulas of mean. square radius of gyration and mean. square dipole moment were deduced by the improved rotational. isomeric. state model and the generator matrix method. The configuration. conformation dependent properties of inorganic and semi. inorganic polymers were investigated by these basic quantities. From comparing the calculated results, it is found that the flexibility and polarity of chain are related to the heteroatom constituents, the size of side group, the conformation energies and tacticity of chain. The polarity of asymmetric polymers is greater than that of symmetric polymers. Duo to existence the crowd side groups, poly(methylphenylsilylene)(PMPS) and poly(dimethylsilylene)(PDMS) have greater chain dimensions than those of poly (methlphenysiloxanc), poly (silastyrene) and polyphosphate. Especially, the dimensions of PMPS chain with and without considering side group have a difference of 4.68%. The intrinsic viscosity changes obviously as configuration parameters and degree of polymerization increase. Similarly, the temperature coefficients of PDMS also change uniquely as degree of polymerization increase. Therefore, it suggests that the size, distribution and polar of side groups cannot be neglected in estimating the dimension and polarity of polymers.
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Key words
Poly (methylphenylsilylene),Polyphosphate,Characteristic ratio,Intrinsic viscosity,Temperature coefficient,Configuration,Confromation,Mean-square radius gyration,Mean-square dipole moment
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