the ultraviolet-visible (uv) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. the electric dipole moments and polarizabilities in the molecular excited electronic states were determined. it was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...

The Ultraviolet-visible (UV) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. The electric dipole moments and polarizabilities in the molecular excited electronic states were determined. It was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...

morphological changes in polyvinyl butyral (pvb) electrospun nanofibres can be acquired by preparation of pvb spinning solution in different solvents.  accordingly, three solvents, including ethyl alcohol, n-butanol and isopropanol, with diverse physical properties (e.g. boiling point, density, dipole moment and dielectric constant) were used to prepare polyvinyl butyral (pvb) spinning solution...

Morphological changes in Polyvinyl Butyral (PVB) electrospun nanofibres can be acquired by preparation of PVB spinning solution in different solvents.  Accordingly, three solvents, including ethyl alcohol, n-butanol and isopropanol, with diverse physical properties (e.g. boiling point, density, dipole moment and dielectric constant) were used to prepare PolyVinyl Butyral (PVB) spin...

We consider a model of colloidal spherical particles carrying a permanent dipole moment which is laterally shifted out of the particles' geometrical centres, i.e. the dipole vector is oriented perpendicular to the radius of the particles. Varying the shift δ from the centre, we analyse ground state structures for two, three and four hard spheres, using a simulated annealing procedure. We also c...

In this work, we have calculated the Joule-Thomson inversion curve of two important associating fluids, namely water and methanol, from the SAFT equation of state. Comparisons with the available experimental data, for water and methanol indicate that this molecular based equation of state gives good prediction of the low temperature branch; but, unfortunately, due to lack of isenthalpic dat...

in this work, we have calculated the joule-thomson inversion curve of two important associating fluids, namely water and methanol, from the saft equation of state. comparisons with the available experimental data, for water and methanol indicate that this molecular based equation of state gives good prediction of the low temperature branch; but, unfortunately, due to lack of isenthalpic data fo...

MECHANISMS ..............................................................................................................2 INTRA-MOLECULAR DIPOLE-DIPOLE INTERACTIONS.....................................................4 INTER-MOLECULAR DIPOLE-DIPOLE INTERACTIONS .....................................................5 SPIN-ROTATION INTERACTIONS........................................................

in the present work, dft calculations are employed to obtain the optimized structures of 4-acyl pyrazolone tautomers (19 tautomers) using b3lyp/6-311++g** calculations. inaddition, molecular parameters, ir frequencies and relative energies are extracted for alltautomers. the existence of aromatic ring, keto tautomer (versus enol tautomer), n-h bond(versus c-h bond) and c=n double bond (versus n...