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The equilibrium geometries, IR-spectra and transition mechanism of intramolecular hydrogen-bonded methyl salicylate in excited state were studied using DFT and TDDFT with 6-31++G (d, p) basis set. The length of hydrogen bond OH⋯OC is decreased from 1.73Å in the ground state to 1.41 and 1.69Å in the excited S 1 and S 3 states. The increase of bond length for HO and CO group also indicates...
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