Conformational Panorama of Cycloundecanone: A Rotational Spectroscopy Study

Valerie W.Y. Tsoi, Ecaterina Burevschi, Shefali Saxena, M. Eugenia Sanz*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


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 13C 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.

Original languageEnglish
Pages (from-to)6185-6193
Number of pages9
JournalJournal of Physical Chemistry A
Issue number36
Publication statusPublished - 15 Sept 2022


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