Results 41 to 50 of about 3,012,302 (181)

Protonation of apolar species: From Cl2H+ to (E)-NCCHCHCNH+ through computational investigations

Frontiers in Astronomy and Space Sciences, 2023
Radioastronomy is a powerful tool for the discovery of molecules in space but it requires molecular species to be polar. The observation of apolar species can be however enabled by protonation, which occurs from reaction with the abundant H3+ ion ...
Silvia Alessandrini, Luca Bizzocchi, Mattia Melosso, Cristina Puzzarini   +3 more
doaj   +1 more source

Methyl Internal Rotation in Fruit Esters: Chain-Length Effect Observed in the Microwave Spectrum of Methyl Hexanoate

Molecules, 2022
The gas-phase structures of the fruit ester methyl hexanoate, CH3-O-(C=O)-C5H11, have been determined using a combination of molecular jet Fourier-transform microwave spectroscopy and quantum chemistry.
Nhu-Ngoc Dang, Hoang-Nam Pham, Isabelle Kleiner, Martin Schwell, Jens-Uwe Grabow, Ha Vinh Lam Nguyen   +5 more
doaj   +1 more source

Rotational spectroscopy, tentative interstellar detection, and chemical modeling of N-methylformamide [PDF]

, 2017
Context. N-methylformamide, CH3 NHCHO, may be an important molecule for interstellar pre-biotic chemistry because it contains a peptide bond, which in terrestrial chemistry is responsible for linking amino acids in proteins.
Arnaud Belloche, A. Meshcheryakov, R. Garrod, V. Ilyushin, E. Alekseev, R. Motiyenko, L. Margulès, H. Müller, K. Menten   +8 more
semanticscholar   +1 more source

Pure Rotational Spectrum of Benzophenone Detected by Broadband Microwave Spectrometer in the 2–8 GHz Range

Applied Sciences, 2020
The investigation on microwave spectrum of benzophenone was conducted with a recently constructed broadband chirped-pulse Fourier transform microwave spectrometer with a heating nozzle in the 2–8 GHz range.
Haoyang Tan, Miaoling Yang, Chenbo Huang, Shengwen Duan, Ming Sun, Qian Chen, Chao Jiao, Yi Wu   +7 more
doaj   +1 more source

The phenyl vinyl ether–methanol complex: a model system for quantum chemistry benchmarking

Beilstein Journal of Organic Chemistry, 2018
The structure of the isolated aggregate of phenyl vinyl ether and methanol is studied by combining a multi-spectroscopic approach and quantum-chemical calculations in order to investigate the delicate interplay of noncovalent interactions.
Dominic Bernhard, Fabian Dietrich, Mariyam Fatima, Cristóbal Pérez, Hannes C. Gottschalk, Axel Wuttke, Ricardo A. Mata, Martin A. Suhm, Melanie Schnell, Markus Gerhards   +9 more
doaj   +1 more source

Revealing Internal Rotation and ¹⁴N Nuclear Quadrupole Coupling in the Atmospheric Pollutant 4-Methyl-2-nitrophenol: Interplay of Microwave Spectroscopy and Quantum Chemical Calculations

Molecules, 2023
The structure and interactions of oxygenated aromatic molecules are of atmospheric interest due to their toxicity and as precursors of aerosols. Here, we present the analysis of 4-methyl-2-nitrophenol (4MNP) using chirped pulse and Fabry–Pérot Fourier ...
Shefali Baweja, Eleonore Antonelli, Safia Hussain, Antonio Fernández-Ramos, Isabelle Kleiner, Ha Vinh Lam Nguyen, M. Eugenia Sanz   +6 more
doaj   +1 more source

Microwave quantum logic spectroscopy and control of molecular ions

New Journal of Physics, 2013
A general method for rotational microwave spectroscopy and control of polar molecular ions via direct microwave addressing is considered. Our method makes use of spatially varying ac Stark shifts, induced by far off-resonant, focused laser beams to ...
M Shi, P F Herskind, M Drewsen, I L Chuang   +3 more
doaj   +1 more source

Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-Ne

Molecules, 2021
The rotational spectrum of the pentafluoropyridine-Ne complex, generated in a supersonic jet, has been investigated using chirped-pulse microwave Fourier transform spectroscopy in the 2–8 GHz range.
Alberto Macario, Susana Blanco, Ibon Alkorta, Juan Carlos López   +3 more
doaj   +1 more source

Quantitative analysis of gas phase molecular constituents using frequency-modulated rotational spectroscopy.

Review of Scientific Instruments, 2019
Rotational spectroscopy has been used for decades for virtually unambiguous identification of gas phase molecular species, but it has rarely been used for the quantitative analysis of molecular concentrations.
Minghe Lou, D. Swearer, Samuel Gottheim, Dane J. Phillips, J. G. Simmons, N. Halas, H. Everitt   +6 more
semanticscholar   +1 more source

Molecular Parameters of Tert-Butyl Chloride and Its Isotopologues Determined from High-Resolution Rotational Spectroscopy

Applied Sciences, 2020
A broadband chirped-pulse Fourier transform microwave spectrometer was used to detect the rotational spectra of the products of a chemical reaction in the gas phase from 1-18 GHz under the supersonic expansion condition.
Chao Jiao, Sheng-wen Duan, Yi Wu, Ming Sun, Qian Chen, Pei-yu Fang, Da-peng Wang   +6 more
doaj   +1 more source