Heavier chalcogenofenchones for fundamental gas-phase studies of molecular chirality

Fuente: arXiv
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Main Authors: Kour, Manjinder, Kargin, Denis, Döring, Eileen, Vasudevan, Sudheendran, Maurer, Martin, Stahl, Pascal, Vidanović, Igor, Bruhn, Clemens, Sun, Wenhao, Giesen, Steffen M., Baumert, Thomas, Berger, Robert, Braun, Hendrike, Fuchs, Guido W., Giesen, Thomas F., Pietschnig, Rudolf, Schnell, Melanie, Senftleben, Arne
Format: Preprint
Published: 2025
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_version_ 1866909646119239680
author Kour, Manjinder
Kargin, Denis
Döring, Eileen
Vasudevan, Sudheendran
Maurer, Martin
Stahl, Pascal
Vidanović, Igor
Bruhn, Clemens
Sun, Wenhao
Giesen, Steffen M.
Baumert, Thomas
Berger, Robert
Braun, Hendrike
Fuchs, Guido W.
Giesen, Thomas F.
Pietschnig, Rudolf
Schnell, Melanie
Senftleben, Arne
author_facet Kour, Manjinder
Kargin, Denis
Döring, Eileen
Vasudevan, Sudheendran
Maurer, Martin
Stahl, Pascal
Vidanović, Igor
Bruhn, Clemens
Sun, Wenhao
Giesen, Steffen M.
Baumert, Thomas
Berger, Robert
Braun, Hendrike
Fuchs, Guido W.
Giesen, Thomas F.
Pietschnig, Rudolf
Schnell, Melanie
Senftleben, Arne
contents 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 ($Z$) 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.
format Preprint
id arxiv_https___arxiv_org_abs_2506_09906
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Heavier chalcogenofenchones for fundamental gas-phase studies of molecular chirality
Kour, Manjinder
Kargin, Denis
Döring, Eileen
Vasudevan, Sudheendran
Maurer, Martin
Stahl, Pascal
Vidanović, Igor
Bruhn, Clemens
Sun, Wenhao
Giesen, Steffen M.
Baumert, Thomas
Berger, Robert
Braun, Hendrike
Fuchs, Guido W.
Giesen, Thomas F.
Pietschnig, Rudolf
Schnell, Melanie
Senftleben, Arne
Chemical Physics
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 ($Z$) 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.
title Heavier chalcogenofenchones for fundamental gas-phase studies of molecular chirality
topic Chemical Physics
url https://arxiv.org/abs/2506.09906