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Matrix isolation FTIR and molecular orbital study of E and Z acetaldoxime monomers

The molecular structures and vibrational spectra of the monomers of the Z and E acetaldoxime isomers were investigated by ab initio MP2/6-311++G** and DFT (B3LYP)/6-311++G** calculations. Experimentally, acetaldoxime was studied using FTIR spectroscopy combined with the technique of isolation in low temperature argon matrixes. Significant dependence of the ratio of E and Z isomers in the matrix on the method of...