Conformational and stereoelectronic investigation of chloromethyl methyl sulfide and its sulfinyl and sulfonyl analogs

LC Ducati, MP Freitas, CF Tormena, R Rittner

Index: Ducati, Lucas C.; Freitas, Matheus P.; Tormena, Claudio F.; Rittner, Roberto Journal of Molecular Structure, 2006 , vol. 800, # 1-3 p. 45 - 50

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Citation Number: 10

Abstract

The rotational equilibria of some sulfur-containing model compounds were theoretically determined, and a rationalization of the effects responsible for the results obtained is given. Experimental approaches, namely NMR and infrared, were also used to show the gauche (ClCSCH3 fragment) prevalence for these compounds and allowed us to elucidate the orbital interactions involved in such systems. The gauche rotamer of the sulfide is about ...