The Shape Of Progesterone

Kolesniková, Lucie

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https://hdl.handle.net/2142/116879 Copy

Description

Title

The Shape Of Progesterone

Author(s)

Kolesniková, Lucie

Contributor(s)

• Alonso, José L.
• León, Iker
• Insausti, Aran
• Alonso, Elena R.

Issue Date

2022-06-20

Keyword(s)

Structure determination

Abstract

Solid samples of progesterone (m.p.~$126^{\circ}$C), one of the essential hormones, have been vaporized by laser ablation and probed in a supersonic expansion using a broadband Fourier transform microwave spectroscopy. The analysis of around 150 rotational transitions revealed the existence of a single conformation. Like for the related testosterone\footnote{I. Le\'{o}n, E. R. Alonso, S. Mata, and J. L. Alonso, \textit{J. Phys. Chem. Lett.} 2021, 12, 6983-6987.}, progesterone adopts an extended configuration which is the most stable form predicted by quantum-chemical calculations. Due to the methyl group internal rotation, \textit{A}--\textit{E} splittings have been observed and allowed for the precise determination of the barrier height. The considerable molecular size of progesterone, one of the largest ever attempted solid, illustrates the potential of the LA-CP-FTMW\footnote{E. R. Alonso, I. Le\'{o}n, J. L. Alonso, Intra- and Intermolecular Interactions between non-covalently Bonded Species. Elsevier, 2021, 93-141.} technique in structural chemistry. \vspace{0.5cm} \textbf{Acknowledgments:} The authors thank the financial fundings from Ministerio de Ciencia e Innovacion ( PID2019-111396GB-I00) and Junta de Castilla y Le\'{o}n (VA077U16 and VA244P20).

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116879

DOI

https://doi.org/10.15278/isms.2022.MI04

Copyright and License Information

Copyright 2022 held by the authors

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