The conformational landscape of the medium-size cyclic
ketone cycloundecanone
has been investigated using chirped-pulse Fourier transform microwave
spectroscopy and computational calculations. Nine conformations were
observed in the rotational spectrum and identified from the comparison
of experimental and theoretical rotational constants as well as the
observed and predicted types of rotational transitions. All singly
substituted
13
C isotopologues were observed for the most
abundant conformer, which allowed the determination of partial substitution
and effective structures. The most abundant conformer dominates the
rotational spectrum and is almost 40 times more abundant than the
least abundant conformer. Conformational preferences are governed
by the combination of transannular H···H and eclipsed
HCCH interactions.
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