Skeletal Torsion Tunneling and Methyl Internal Rotation: The Coupled Large Amplitude Motions in Phenyl Acetate

Autor: Lynn Ferres, Luca Evangelisti, Assimo Maris, Sonia Melandri, Walther Caminati, Wolfgang Stahl, Ha Vinh Lam Nguyen

Publikováno v: Molecules, Vol 27, Iss 9, p 2730 (2022)

The rotational spectrum of phenyl acetate, CH3COOC6H5, is measured using a free jet absorption millimeter-wave spectrometer in the range from 60 to 78 GHz and two pulsed jet Fourier transform microwave spectrometers covering a total frequency range f

Externí odkaz: https://doaj.org/article/afb286261fc04a6b924d308263c2b218

LOWERING THE TORSIONAL BARRIERS BY STERICAL HINDRANCE: MICROWAVE SPECTRUM OF THE THREE-TOP MOLECULE 2,6-DIMETHYLANISOLE

Autor: Joshua Spautz, Ha Nguyen, Wolfgang Stahl, Lynn Ferres

Publikováno v: Proceedings of the 2021 International Symposium on Molecular Spectroscopy.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d95d883b2927c4e74529a95954f5bd7f
https://doi.org/10.15278/isms.2021.ta07

The effect of internal rotation in p-methyl anisole studied by microwave spectroscopy

Autor: Ha Vinh Lam Nguyen, Lynn Ferres, Isabelle Kleiner, Wolfgang Stahl

Publikováno v: Journal of Molecular Spectroscopy
Journal of Molecular Spectroscopy, Elsevier, 2018, 343, pp.44-49. ⟨10.1016/j.jms.2017.09.008⟩

International audience; The Fourier transform microwave spectrum of p-methyl anisole, CH3C6H4OCH3, was measured in the frequency range from 2 to 26.5 GHz under molecular jet conditions. The conformer analysis yielded only one stable conformer, in whi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05bf69dc5a0735249e77a1864a58fbca
https://hal.archives-ouvertes.fr/hal-03183097

Methyl Internal Rotation in the Microwave Spectrum of o-Methyl Anisole

Autor: Ha Vinh Lam Nguyen, Wolfgang Stahl, Halima Mouhib, Lynn Ferres

Publikováno v: ChemPhysChem
ChemPhysChem, Wiley-VCH Verlag, 2017, 18 (14), pp.1855-1859. 〈10.1002/cphc.201700276〉
ChemPhysChem, Wiley-VCH Verlag, 2017, 18 (14), pp.1855-1859. ⟨10.1002/cphc.201700276⟩

International audience; The microwave spectrum of o‐methyl anisole (2‐methoxytoluene), CH3OC6H4CH3, has been measured by using a pulsed molecular jet Fourier transform microwave spectrometer operating in the frequency range 2–26.5 GHz. Conforma

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63de39ba53f92ad9f9f6c484e97c229b
https://pubmed.ncbi.nlm.nih.gov/28481432

Molecular structure and ring tunneling of phenyl formate as observed by microwave spectroscopy and quantum chemistry

Autor: Ha Vinh Lam Nguyen, Lynn Ferres, Wolfgang Stahl, Martin Schwell, Halima Mouhib

Publikováno v: Journal of Molecular Spectroscopy
Journal of Molecular Spectroscopy, Elsevier, 2017, 337, pp.59-64. ⟨10.1016/j.jms.2017.04.017⟩
Journal of Molecular Spectroscopy, Elsevier, 2017, 337, pp.59-64. 〈10.1016/j.jms.2017.04.017〉

International audience; Phenyl formate has been investigated by molecular jet Fourier-transform microwave spectroscopy in the frequency range from 2 to 26.5 GHz. Quantum chemical calculations at the MP2/6-311++G(d,p) level of theory indicate that thi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b69c6bd10024128ae1fd61dbd2066684
https://hal.archives-ouvertes.fr/hal-03183099/file/PhF_HAL.pdf