VIBRATIONAL STUDIES OF MONOMER, DIMER AND TRIMER STRUCTURES OF 4-CARBOXY PHENYLBORONIC ACID

Authors : Gökhan DİKMEN, Özgür ALVER

Pages : 134-147

Doi:10.18038/estubtda.765047

View : 11 | Download : 9

Publication Date : 2021-06-29

Article Type : Research Paper

Abstract :4-Carboxy Phenylboronic acid insert ignore into journalissuearticles values(4-cpba); was investigated theoretically and experimentally by spectroscopic methods such as FT-IR and Raman. The molecular structure and spectroscopic parameters were determined by computational methods. The molecular dimer1, dimer2 and trimer structures were investigated for intermolecular hydrogen bonding. Moreover, minimum conformational energy search was carried out by potantial energy surface insert ignore into journalissuearticles values(PES);. Potential energy distribution analysis of normal modes was performed to identify characteristic frequencies. The findings of this research work should be useful to experimentalists in their quests for functionalised 4-cpba derivatives.
Keywords : 4 Carboxy Phenylboronic acid, Vibrational analysis, DFT calculation, PES analysis