Dielectric and Thermodynamic Studies on the Hydrogen Bonded Binary System of Isopropyl Alcohol and Aniline

被引:26
作者
Krishna, T. Vijaya [2 ]
Sastry, S. Sreehari [1 ]
机构
[1] Acharya Nagarjuna Univ, Dept Phys, Nagarjuna Nagar 522510, Andhra Pradesh, India
[2] Vasireddy Venkatadri Inst Technol, Dept Phys, Nambur 522508, India
关键词
Dielectric permittivity; Relaxation time; Hamiltonian calculations; Hydrogen bond; MOLECULAR-INTERACTIONS; N-METHYLFORMAMIDE; POLAR MIXTURES; RELAXATION; BEHAVIOR; N; N-DIMETHYLFORMAMIDE; ACETOPHENONE; CONSTANTS; LIQUID;
D O I
10.1007/s10953-010-9583-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The molecular interactions between the polar systems isopropyl alcohol (IPA) and aniline for various mole fractions at different temperatures were studied by determining the dielectric permittivity using an HP-LF impedance analyzer at radio frequencies, the plunger method in the microwave frequency range and Abbe's refractometer in optical region. Kirkwood effective correlation factors, corrective Kirkwood correlation factors, excess permittivities, Bruggeman parameters, excess Helmholtz free energy, relaxation time, dipole moment and excessive dipole moment were calculated using the experimental data. Optimized geometries were calculated using Spartan Modeling software for both pure and equimolar systems of isopropyl alcohol and aniline for Hamiltonian quantum mechanical calculations. Conformational analysis of the formation of hydrogen bond between the two systems is supported by the FT-IR spectra.
引用
收藏
页码:1377 / 1393
页数:17
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