The dielectric relaxation time of liquids and the spin-lattice relaxation time from NMR studies are related to one another since the rotational correlation time (τc) is a function of the dielectric relaxation time τ. The present study attempts to correlate the observations from the two studies along with inputs from conformational analysis, for the binary systems of methanol + ketones. The results are analysed with respect to the rotation of the CH3 group. © 2005 Elsevier B.V. All rights reserved.

M. S. Moni

Jandhyala Sobhanadri

Vemuri Rama Krishna Murthy

Dielectric materials

Ketones

Methanol

nuclear magnetic resonance

Relaxation processes

13 C NMR

BINARY SYSTEMS

dielectric

Binary mixtures

IIT Madras is a public technical and research university located in Chennai, Tamil Nadu. Founded in 1959, it is recognised as an Institute of National Importance.

IIT Madras has been ranked as the top engineering institute in India for four years in a row by the National Institutional Ranking Framework of the MHRD

It currently offers undergraduate, postgraduate and research degrees across 16 disciplines in Engineering, Sciences, Humanities and Management. About 596 faculty belonging to science and engineering departments and centres of the Institute are engaged in teaching, research and industrial consultancy.

IIT Madras

Journal of Molecular Liquids

The dielectric behaviour of the polar liquids like propionaldehyde, isopropyl amine and their equimolar binary mixture in nonpolar solvent benzene is studied in the microwave frequency range using the cavity perturbation technique at 6.218 GHz (J band), 9.880 GHz (X band), 16.331 GHz (P band) and 24.951 GHz (K band). Hamiltonian quantum mechanical calculations such as AM1, PM3, and MNDO optimized converged geometry operation is performed by using Argus lab chemical modelling software 2004 for both pure and binary systems of propionaldehyde and isopropyl amine. Dipole moments of the binary mixtures are calculated from the dielectric data using Higasi's method and compared with the theoretical results. Conformational analysis of the formation of a hydrogen bond between the propionaldehyde and isopropyl amine is supported by FT-IR, proton NMR spectra and molecular polarizability calculations. The average relaxation times are calculated from their respective Cole-Cole plots.

Molecular Physics

Conformational and microwave dielectric relaxation studies of hydrogen bonded polar binary mixtures of propionaldehyde with isopropyl amine

The dielectric behavior of the polar liquids like propan-1-ol, isopropyl amine and their equimolar binary mixture in nonpolar solvent benzene is studied in the microwave frequency range using the cavity perturbation technique at 6.218 GHz (J band), 9.880 GHz (X band), 16.331 GHz (P band) and 24.951 GHz (K band). Hamiltonian quantum mechanical calculations such as AM1, PM3, and MNDO optimized converged geometry operation is performed by using Argus lab chemical modeling software 2004 for both pure and binary system of propan-1-ol and isopropyl amine. Dipole moments of the binary mixtures are calculated from the dielectric data using Higasi's method and compared with the theoretical results. Conformational analysis of the formation of hydrogen bond between the propan-1-ol and isopropyl amine is supported by the FT-IR and proton NMR spectra. The average relaxation times are calculated from their respective Cole-Cole plots. © 2008.

Journal of Molecular Structure

Conformational and dielectric analysis of hydrogen bonded polar binary mixtures of propan-1-ol with isopropyl amine

Dielectric and 13C NMR studies of hydrogen-bonded binary systems of methanol + ketones

A conformational study on the 1:1 binary complex of acetone-methanol involving hydrogen bonding has been carried out using ab initio calculations on three isomers. The optimization uses a 3-21G basis set and the single run calculation is done at the 4-31G and 6-31G basis set levels. The circular double hydrogen bonded six membered structure is found to be stable. The calculated dipole moment is compared with the experimental value. The dipole moment of the system was measured at three microwave and one r.f. frequencies using Guggenhiem's method. © 1995.

Journal of Molecular Structure: THEOCHEM

Conformational study on the binary mixture acetone-methanol involving H-bonding

Toxicology and Industrial Health

Errata

Pramana

Dielectric investigation of relaxation in some heterocyclic compounds

The Journal of Chemical Physics

Natural Abundance Carbon‐13 Partially Relaxed Fourier Transform Nuclear Magnetic Resonance Spectra of Complex Molecules

Journal	Journal of Molecular Liquids
ISSN	01677322
Open Access	No