COA of Formula: C8H8O3In 2020 ,《Experimental and theoretical investigation of ground state intramolecular proton transfer (GSIPT) in salicylideneaniline Schiff base derivatives in polar protic medium》 was published in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy. The article was written by Das, Bijoya; Chakraborty, Amrita; Chakraborty, Shamik. The article contains the following contents:
Ground state intramol. proton transfer process has been comprehensively investigated in three salicylideneaniline Schiff base derivatives (SB1, SB2, and SB3) using exptl. and theor. methods. It has been confirmed that all the three Schiff base mols. in the ground electronic state exist in the enol form in non-polar and polar aprotic solvents. Keto form is being populated by the polar protic solvent through ground state intramol. proton transfer (GSIPT) process. Ground state equilibrium between the enol and keto tautomers for SB1 and SB3 is mainly governed by the proton donating ability of the solvent. Ground state equilibrium between the enol and keto tautomers of SB2 which is a positional isomer of SB3 is governed by the polarity and proton donating ability of the solvents. Excited state intramol. proton transfer (ESIPT) process is also evidenced in all the three Schiff base mols. Theor. calculations at the B3LYP/cc-pVDZ level in the gas phase and in different solvents using polarisable continuum model (PCM) have failed to establish the GSIPT process. Microsolvation of individual enol and keto conformers has been investigated considering upto three solvent mols. The energetics of the individual conformers together with the corresponding transition state have been calculated It has been confirmed that the keto conformer is more stable compared to the enol conformer in microsolvated cluster of three methanol mols. Lowering of activation energy for the enol to keto tautomerisation in the presence of methanol also supports the exptl. observation for GSIPT process. TDDFT/B3LYP/cc-pVDZ single point calculations for microsolvated clusters of enol and keto form of the Schiff base mols. exhibit an excellent agreement with the exptl. obtained absorption spectra. Difference in spectral nature of the Schiff base mols. has been explained using natural bond orbital (NBO) anal. Quantum theory of atoms in mols. (QTAIM) has also been utilized to understand the GSIPT process in detail. The results came from multiple reactions, including the reaction of 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3COA of Formula: C8H8O3)
2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants. 2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.COA of Formula: C8H8O3
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