Abstrakt

Electronic State Properties: Bond Length and Bond Angle of Phenol and its Some Derivatives

Alok Shukla, Rajendra Prasad Tewari and K. D. P. Shukla

We have studied bond length and bond angle of a series of phenols. For present study the molecular modelling and geometry optimization of all the compounds were carried out with MOPAC software using MINDO/3 methods. We have conclude that the order of bond lengths between C-O, C-C, C-H and O-H atoms have been changed by changing the position of the substituents i.e., from ortho to para substitution. The C-C-C band angles have the same value while the C-C-O and C-O-H band angles differ from their normal values on substitution.