RAVI SHANKAR KUMAR - Academia.edu (original) (raw)
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Vishvesvaraya Technological University, Belgaum, Karnataka, INDIA
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Papers by RAVI SHANKAR KUMAR
Ultrasonic velocity, density and viscosity measurements have been carried out in the polar binary... more Ultrasonic velocity, density and viscosity measurements have been carried out in the polar binary mixtures of N,N-dimethylacetamide with alcohol (propan-1-ol/propan-2-ol) for various mole fractions at 303.15 K. The experimental data has been used to calculate the parameters-adiabatic compressibility, intermolecular free length, internal pressure, acoustic relaxation time, Wada’s constant, Rao’s constant and excess values. The optimized geometry, harmonic vibrational wave numbers and dipole moments of pure and equimolar binary mixtures have been calculated by ab-initio Hartree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-31+G* and 6-311+G** basis sets using Spartan 08 modeling software. Vibrational frequencies during the formation of hydrogen bond in the equimolar binary mixture systems of N,N-dimethylacetamide with alcohol (propan-1-ol/propan-2-ol) are supported by experimental FT-IR spectra. The calculated wave numbers are found to agree well with the experime...
Journal of Non-Crystalline …, 2011
The interaction with donor p-n-alkylbenzoic acid and acceptor nonyl-p-hydroxy benzoate molecules ... more The interaction with donor p-n-alkylbenzoic acid and acceptor nonyl-p-hydroxy benzoate molecules was studied. The likely association of these molecules to complexes is studied by intermolecular hydrogen bonding. The textures are observed by polarizing optical microscope with corresponding transitions confirmed by differential scanning calorimetry. The molecular complexes exhibited enantiotropic crystal G phases in both heating and cooling cycles. The relevant functional groups C O, CO and OH in formation of molecular complexes are attributed with spectral shifts in infrared spectra and further with absorption studies. The proton NMR studies convinced the structural aspects of hydrogen bonded structure. Crystal parameters were studied with powdered X-ray diffraction. The results show that constituent molecules self organize through intermolecular hydrogen bonding in the formation of crystal G phase.
Ultrasonic velocity, density and viscosity measurements have been carried out in the polar binary... more Ultrasonic velocity, density and viscosity measurements have been carried out in the polar binary mixtures of N,N-dimethylacetamide with alcohol (propan-1-ol/propan-2-ol) for various mole fractions at 303.15 K. The experimental data has been used to calculate the parameters-adiabatic compressibility, intermolecular free length, internal pressure, acoustic relaxation time, Wada’s constant, Rao’s constant and excess values. The optimized geometry, harmonic vibrational wave numbers and dipole moments of pure and equimolar binary mixtures have been calculated by ab-initio Hartree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-31+G* and 6-311+G** basis sets using Spartan 08 modeling software. Vibrational frequencies during the formation of hydrogen bond in the equimolar binary mixture systems of N,N-dimethylacetamide with alcohol (propan-1-ol/propan-2-ol) are supported by experimental FT-IR spectra. The calculated wave numbers are found to agree well with the experime...
Journal of Non-Crystalline …, 2011
The interaction with donor p-n-alkylbenzoic acid and acceptor nonyl-p-hydroxy benzoate molecules ... more The interaction with donor p-n-alkylbenzoic acid and acceptor nonyl-p-hydroxy benzoate molecules was studied. The likely association of these molecules to complexes is studied by intermolecular hydrogen bonding. The textures are observed by polarizing optical microscope with corresponding transitions confirmed by differential scanning calorimetry. The molecular complexes exhibited enantiotropic crystal G phases in both heating and cooling cycles. The relevant functional groups C O, CO and OH in formation of molecular complexes are attributed with spectral shifts in infrared spectra and further with absorption studies. The proton NMR studies convinced the structural aspects of hydrogen bonded structure. Crystal parameters were studied with powdered X-ray diffraction. The results show that constituent molecules self organize through intermolecular hydrogen bonding in the formation of crystal G phase.