Experimental and theoretical spectroscopic properties of 2,3-Dimethoxybenzaldehyde using quantum chemical method

The interpretation of active functional groups have been characterized by FT-IR and FT-Raman spectro-scopies with the help of potential energy distributions. Hartree-Fock (HF) calculations of the 2,3-Dimethoxybenzaldehyde (DMBA) carried out by 6-311++G(d,p) basis set. Hyperconjugative associations present in the particle were likewise evaluated utilizing normal bond orbital (NBO) examination. The condensed Fukui functions explored the sites available for nucleophilic and electrophilic attack in the form of local based descriptors. Copyright (c) 2022 Elsevier Ltd. All rights reserved. Selection and peer-review under responsibility of the scientific committee of the International Confer-ence on Latest Developments in Materials & Manufacturing This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).