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Tunnelling Motion of HF Between the Two Oxygen Lone Pairs in the Dimethyl Ether–Hydrogen Fluoride Complex: A Pure Rotational Study
Author(s) -
Ottaviani Paolo,
Caminati Walther,
Velino Biagio,
Blanco Susana,
Lesarri Alberto,
López Juan C.,
Alonso José L.
Publication year - 2004
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200300954
Subject(s) - chemistry , hydrogen fluoride , lone pair , dimethyl ether , rotational spectroscopy , spectroscopy , ether , hydrogen , hydrogen bond , photochemistry , oxygen , microwave , hydrogen atom , molecule , inorganic chemistry , organic chemistry , physics , group (periodic table) , catalysis , quantum mechanics
The rotational spectrum of the dimethyl ether–hydrogen fluoride complex was assigned by millimetre‐wave free‐jet absorption spectroscopy. Fine details of the spectrum were resolved by FT microwave molecular‐beam spectroscopy. The HF group acts as a proton donor and tunnels at a rate of 44178.2(7) MHz between the two oxygen lone pairs, which corresponds to an inversion barrier of 0.17(1) kcal mol −1 . The barrier to internal rotation of the two methyl groups is about 25 % lower relative to the isolated ether.