Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks [PDF]
Molecules, 2023 The interplay of high-resolution rotational spectroscopy and quantum-chemical computations plays an invaluable role in the investigation of biomolecule building blocks in the gas phase.
Vincenzo Barone +2 more
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Towards automated molecular detection through simulated generation of CMOS-based rotational spectroscopy [PDF]
Heliyon, 2023 The use of CMOS sensors for rotational spectroscopy is a promising, but challenging avenue for low-cost gas sensing and molecular identification. A main challenge in this approach is that practical CMOS spectroscopy samples contain various different ...
Yasamin Fozouni +2 more
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The Structure of 2,6-Di-tert-butylphenol–Argon by Rotational Spectroscopy [PDF]
Molecules, 2023 The molecular structure of a van der Waals-bonded complex involving 2,6-di-tert-butylphenol and a single argon atom has been determined through rotational spectroscopy.
Wenqin Li +4 more
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The Shapes of Sulfonamides: A Rotational Spectroscopy Study [PDF]
Molecules, 2022 Benzenesulfonamides are a class of molecules of extreme interest in the biochemical field because many of them are active against a variety of diseases. In this work, the pharmacophoric group benzensulfonamide, its derivatives para-toluensulfonamide and ...
Annalisa Vigorito +6 more
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Laboratory detection and rotational spectroscopy of trans-HNSO: implications for astronomical observations [PDF]
Frontiers in ChemistrySulfur-bearing molecules are central to interstellar chemistry, yet their observed abundances in the gas phase remain far below cosmic expectations in dense interstellar regions.
Valerio Lattanzi +4 more
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Broadband rotational spectroscopy [PDF]
Proceedings of the 69th International Symposium on Molecular Spectroscopy, 2014 The past decade has seen several major technology advances in electronics operating at microwave frequencies making it possible to develop a new generation of spectrometers for molecular rotational spectroscopy.
Brooks Pate, Pate, Brooks
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From Molecular to Cluster Properties: Rotational Spectroscopy of 2-Aminopyridine and of Its Biomimetic Cluster with Water [PDF]
Molecules, 2021 We report the observation and analysis of the rotational spectrum of a 1:1 cluster between 2-aminopyridine and water (AMW) carried out with supersonic expansion Fourier transform microwave spectroscopy at 4.7–16.5 GHz. Measurements of the 2-aminopyridine
Adam Kraśnicki +2 more
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Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex [PDF]
Molecules, 2020 The most stable isomer of the 1:1 complex formed by 2,2,2-trifluoroacetophenone and water has been characterized by combining rotational spectroscopy in supersonic expansion and state-of-the-art quantum-chemical computations.
Juncheng Lei +7 more
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Inversion Motion of Xanthene and Detection of Its Oxidation Product Xanthone from Gas-Phase Rotational Spectroscopy [PDF]
MoleculesThe rotational spectra of xanthene and its oxidation product xanthone were investigated by combining quantum chemical calculations with Fourier transform microwave spectroscopy in a jet-cooled environment.
Celina Bermúdez +2 more
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, 2021 Rotational spectroscopy studies the radiative transitions between discrete energy levels associated with the rotation of a molecule. Rotational level energies are related to the moments of inertia of the molecule, which in turn depend on the masses of ...
Agúndez, Marcelino, Agúndez Marcelino
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