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IJPAP Vol.43(07) [July 2005] >


Title: Dielectric and conformational studies of methanol + ketone systems
Authors: Madhurima, V
Keywords: Dielectric studies
Conformational analysis
Dipole moment
Issue Date: Jul-2005
Publisher: CSIR
IPC CodeG01R31/12
Abstract: Semi-empirical conformational analysis of five methanol + ketone systems with a systematic study with the variation of the hydrogen bond angle have been studied. The results of the conformational analysis are compared with experimentally determined dipole moments of the five systems. The ketones chosen for the present study are acetone, 2-butanone, 3-pentanone, cyclohexanone and acetophenone. Conformational analysis is done using the PM3 semi-empirical Hamiltonian and the dipole moments are determined using dielectric relaxation studies at microwave X-band frequency (9.97 GHz). Further confirmation with previous 13C NMR chemical shift data is also sought.
Page(s): 550-555
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Source:IJPAP Vol.43(07) [July 2005]

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