Spectroscopic and theoretical studies of some p-substituted α-methylthio-α-diethoxyphosphorylacetophenones

• Published in: Journal of molecular structure Vol. 798; no. 1; pp. 57 - 63
• Main Authors: Reis, A.K.C.A., Olivato, P.R., Zukerman-Schpector, J., Tormena, C.F., Rittner, R., Domingues, N.L.C., Dal Colle, M.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 23.10.2006
• Subjects: Ab initio calculations; Conformational analysis; Infrared spectroscopy; X-ray diffraction analysis; Infrared spectroscopy; Ab initio calculations; X-ray diffraction analysis; Conformational analysis

The analysis of the IR carbonyl band of the α-methylthio-α-diethoxyphosphoryl p-substituted acetophenones p-Y-Ph-C(O)CH[SMe][P(O)(OEt) 2] (Y = OMe 1, H 2, F 3, Cl 4, Br 5 and NO 2 6), supported by HF/6-31G** ab initio calculations of the α-methylthio-α-diethoxyphosphoryl acetophenone 2, indicated th...