Title : ( Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione )
Authors: Mohamad Vakili ,
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Abstract
The theoretical frequency calculations and the results of experimental IR and Raman studies suggest that both stable chelated conformers of TMHD coexist in the sample. Also, comparison of the calculated geometrical parameters, NMR results and some vibrational frequencies (like OH/OD and OH/OD) confirm that substitution of t-But and/or Ph groups with the CH3 groups of AA increase the strength of the intramolecular hydrogen bond.
Keywords
, 2, 2, 6, 6-tetramethyl-3, 5-heptanedione; -dicarbonyl; Conformational analysis, Vibrational assignment; Intramolecularhydrogen bond; Density Functional Theory.
@inproceedings{paperid:1038218,
author = {Vakili, Mohamad},
title = {Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione},
booktitle = {13th Iranian Physical Chemistry Conference},
year = {2010},
location = {شیراز, IRAN},
keywords = {2;2;6;6-tetramethyl-3;5-heptanedione; -dicarbonyl; Conformational analysis; Vibrational assignment; Intramolecularhydrogen bond; Density Functional Theory.},
}
%0 Conference Proceedings
%T Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione
%A Vakili, Mohamad
%J 13th Iranian Physical Chemistry Conference
%D 2010
