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RISTautomerization and intramolecular hydrogen bond strength of 1-(4- Chlorophenyl)-4,4,4-trifluorobutane-1,3-dione by quantum calculations and experimental spectroscopy
Year: 2017
Abstract:
Two stable cis-enol forms can be drawn for p-Cl-TFBA and TFBA,
the structure and their relative stabilities, calculated at B3LYP/6-311++G** level of theory, are
show in Fig.1. The relative stabilities for the ...