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Effect of hydrogen bonding on the thermal behaviour of substituted phenols

✍ Scribed by Salman R. Salman; Kafaa P. Abas

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
260 KB
Volume
152
Category
Article
ISSN
0040-6031

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The 1H NMR spectra of phenols with intramolecular hydrogen bonds oH...O in solutions containing proton acceptors have been studied in the temperature range (200 to 1lO)K. The kinetic parameters of the reversible process of intramolecular+intermolecular hydrogen bond were determined,

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Dimerization energies, ED, internuclear separations, R, and directionality angles have been obtained for the electron donor substituted hydrogen bonds, HO-H\*\*+OHX, X=H, CH3, NH2, OH, and F, from ab initio -molecular orbital calculations with the 4-31G basis. The internuclear separations and direct