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Keywords = chirped-pulsed Fourier transform microwave spectroscopy (CP-FTMW)

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15 pages, 1271 KiB  
Article
Probing Hydrogen-Bonding Preferences and Methyl Internal Rotation in Sotolon and Sotolon-(H2O)1,2
by Andrés Verde, Juan Carlos López and Susana Blanco
Int. J. Mol. Sci. 2025, 26(12), 5806; https://doi.org/10.3390/ijms26125806 - 17 Jun 2025
Viewed by 357
Abstract
Sotolon is a chiral furanone derivative featuring three distinct oxygen atoms at carbonyl, hydroxyl, and cyclic ether groups that can serve as hydrogen-bond acceptor sites, making it an ideal model system for probing water’s preferential interactions with competing functional groups. In this study, [...] Read more.
Sotolon is a chiral furanone derivative featuring three distinct oxygen atoms at carbonyl, hydroxyl, and cyclic ether groups that can serve as hydrogen-bond acceptor sites, making it an ideal model system for probing water’s preferential interactions with competing functional groups. In this study, the rotational spectrum of sotolon and its microsolvated complexes, representing the early stages of hydration, was investigated using chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy. The conformational landscape of sotolon is dominated by a single conformer stabilized by an intramolecular O–H···O=C hydrogen bond. During hydration, water molecules disrupt this interaction by forming closed hydrogen-bonded cycles, resulting in mono- and dihydrated complexes. High-level theoretical calculations underscore the central role of electrostatic interactions in stabilizing these hydrated structures. Furthermore, A/E splittings observed in the rotational spectrum, arising from the internal rotation of one of sotolon’s methyl groups, provide insight into how hydration modulates the methyl internal rotation barrier. Full article
(This article belongs to the Section Physical Chemistry and Chemical Physics)
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29 pages, 25007 KiB  
Review
Advancing Molecular Spectroscopy Efficiency with Extensive Parallelism
by Jiaqi Li, Rodrigo Fernandez, Bernardo Gutierrez, Jan Pedersen and Yan Zhou
Metrology 2024, 4(4), 736-764; https://doi.org/10.3390/metrology4040043 - 5 Dec 2024
Viewed by 2159
Abstract
Molecular spectroscopy, with a legacy spanning over a century, has profoundly enriched our understanding of the microscopic world, driving major advancements across science and engineering. Over time, this field has steadily advanced, incorporating innovations such as lasers and digital computers to reach new [...] Read more.
Molecular spectroscopy, with a legacy spanning over a century, has profoundly enriched our understanding of the microscopic world, driving major advancements across science and engineering. Over time, this field has steadily advanced, incorporating innovations such as lasers and digital computers to reach new levels of precision and sensitivity. Over the past decade, the integration of high-speed embedded electronic systems and advanced light sources has ushered molecular spectroscopy into a new era, characterized by extensive parallelism and enhanced sensitivity. This review delves into two pioneering technologies that embody recent advancements in molecular spectroscopy: Chirped-Pulse Fourier Transform Microwave (CP-FTMW) spectroscopy and optical frequency comb (OFC) spectroscopy. We provide an overview of the fundamental principles behind these methods, examine their most impactful applications across diverse fields, and discuss their potential to drive future developments in molecular spectroscopy. By highlighting these technologies, we aim to underscore the transformative impact of integrating high-speed digital electronics and advanced light sources with molecular spectroscopy, enabling extensive parallelism and paving the way for groundbreaking discoveries and innovations in this rapidly evolving field. Full article
(This article belongs to the Special Issue Advancements in Optical Measurement Devices and Technologies)
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