Abstract
New trans-[Fe(cyclam)(C≡CR)(2)]OTf compounds 2a/2b [cyclam = 1,4,8,11-tetraazacyclotetradecane, R = Si(i)Pr(3) (a) or Ph (b), and OTf = trifluoromethanesulfonate] were prepared from the reaction between trans-[Fe(cyclam)(OTf)(2)]OTf (1) and LiC≡CR. The trans arrangement of the acetylide ligands in 2 was established from the X-ray diffraction study of 2a, and the density functional theory calculations revealed significant dπ-π(C≡C) interactions.
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