English

Heavier chalcogenofenchones for fundamental gas-phase studies of molecular chirality

Chemical Physics 2025-06-12 v1

Abstract

Monoterpene ketones are frequently studied compounds that enjoy great popularity both in chemistry and in physics due to comparatively high volatility, stability, conformational rigidity and commercial availability. Herein, we explore the heavier chalcogenoketone derivatives of fenchone as promising benchmark systems -- synthetically accessible in enantiomerically pure form -- for systematic studies of nuclear charge (ZZ) dependent properties in chiral compounds. Synthesis, structural characterization, thorough gas-phase rotational and vibrational spectroscopy as well as accompanying quantum chemical studies on the density-functional-theory level reported in this work foreshadow subsequent applications of this compound class for fundamental investigations of molecular chirality under well-defined conditions.

Keywords

Cite

@article{arxiv.2506.09906,
  title  = {Heavier chalcogenofenchones for fundamental gas-phase studies of molecular chirality},
  author = {Manjinder Kour and Denis Kargin and Eileen Döring and Sudheendran Vasudevan and Martin Maurer and Pascal Stahl and Igor Vidanović and Clemens Bruhn and Wenhao Sun and Steffen M. Giesen and Thomas Baumert and Robert Berger and Hendrike Braun and Guido W. Fuchs and Thomas F. Giesen and Rudolf Pietschnig and Melanie Schnell and Arne Senftleben},
  journal= {arXiv preprint arXiv:2506.09906},
  year   = {2025}
}

Comments

98 pages (incl. appendix), 33 figures, 26 tables (incl. appendix)