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|Title:||Dielectric and conformational studies of methanol + ketone systems|
|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 <sup>13</sup>C NMR chemical shift data is also sought.|
|ISSN:||0975-1041 (Online); 0019-5596 (Print)|
|Appears in Collections:||IJPAP Vol.43(07) [July 2005]|
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