2017
DOI: 10.1002/ange.201707155
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Rotational Spectroscopy Probes Water Flipping by Full Fluorination of Benzene

Abstract: The topology of the interaction of water with benzenec hanges drastically upon full H!Fs ubstitution on the aromatic ring:t he weak OÀH···p hydrogen bond is replaced by aO ···p linkage,o fa bout the same strength.Hexafluorobenzene-water appears to be the prototype system to investigate this kind of weak bond. The pulsed Fourier transform microwave technique has been used for the detection of the rotational spectra of the normal species and five isotopologues whichu nambiguously led to the identification of the… Show more

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Cited by 16 publications
(8 citation statements)
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“…For instance, water generally prefers to aggregate above the ring with non-substituted or perfluorinated aromatics by linking with the p electrons. [9][10][11] When the aromatics contain heteroatoms or functional groups, water switches to the edgeways bind them with an in-plane configuration. [11][12][13][14] As the number of water molecules grows, complicated competition between in-plane and above-plane configurations of water molecules might emerge.…”
Section: Introductionmentioning
confidence: 99%
“…For instance, water generally prefers to aggregate above the ring with non-substituted or perfluorinated aromatics by linking with the p electrons. [9][10][11] When the aromatics contain heteroatoms or functional groups, water switches to the edgeways bind them with an in-plane configuration. [11][12][13][14] As the number of water molecules grows, complicated competition between in-plane and above-plane configurations of water molecules might emerge.…”
Section: Introductionmentioning
confidence: 99%
“…Since then, anion‐π interactions and their role in chemical and biological processes have been extensively studied, both at the theoretical and experimental level, and compared with the cation‐π interactions [10, 11]. Recently, perfluorinated homo and heteroaromatic ring complexes with neutral molecules containing electron pair donor atoms, such as water, ammonia, and formaldehyde, have been experimentally described by Fourier transform microwave spectroscopy in gas phase [12–15].…”
Section: Introductionmentioning
confidence: 99%
“…14,[20][21][22][23][24] The conformational landscape and intramolecular dynamics of a molecule can be analyzed, obtaining for instance information on tunneling pathways and barrier heights. 23,[25][26][27][28][29][30] With this technique in hand we do not only achieve a chemical analysis of a complex molecular sample, but also accurate molecular structures are obtained.…”
Section: Introductionmentioning
confidence: 99%