A Study of the Dipole Moments and Theoretical Vibrational Frequencies of Dihydroxy Benzenes
作者： R. Amrutha , Linu Sam , P. Chandran
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摘要: Dihydroxy benzenes are of considerable interest because the stabilities molecular H-bond as well interaction between pi charges benzene ring and OH group[1]. The three isomers di-hydroxy namely, catechol, resorcinol, hydroquinol taken into consideration here. Gaussian software[2] was used to carry out studies. dipole moments theoretical vibrational frequencies analyzed. Only being a symmetrical molecule has zero moment. Substitution also marked effect on moment is extremely high for tetra substitution. reflect steric hindrance caused by position two hydroxyl groups confirm earlier findings CC bond elongation or contraction ∠CCO bending.
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