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  Aromatic embedding wins over classical hydrogen bonding – a multi-spectroscopic approach for the diphenyl ether–methanol complex

Medcraft, C., Zinn, S., Schnell, M., Poblotzki, A., Altnöder, J., Heger, M., et al. (2016). Aromatic embedding wins over classical hydrogen bonding – a multi-spectroscopic approach for the diphenyl ether–methanol complex. Physical Chemistry Chemical Physics, 18(37), 25975-25983. doi:10.1039/C6CP03557D.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-8115-1 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-8116-0
Genre: Journal Article

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http://dx.doi.org/10.1039/C6CP03557D (Publisher version)
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 Creators:
Medcraft, Chris1, 2, Author              
Zinn, Sabrina1, 2, Author              
Schnell, Melanie1, 2, Author              
Poblotzki, Anja3, Author
Altnöder, Jonas3, Author
Heger, Matthias3, Author
Suhm, Martin A.3, Author
Bernhard, Dominic4, Author
Stamm, Anke4, Author
Dietrich, Fabian4, Author
Gerhards, Markus4, Author
Affiliations:
1Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938292              
2The Hamburg Centre for Ultrafast Imaging (CUI), Luruper Chaussee 149, D-22761 Hamburg, Germany, ou_persistent22              
3Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany, ou_persistent22              
4Fachbereich Chemie and Research Center Optimas, TU Kaiserslautern, Erwin-Schrödinger-Str. 52, D-67663 Kaiserslautern, Germany, ou_persistent22              

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 Abstract: Dispersion interactions are omnipresent in intermolecular interactions, but their respective contributions are difficult to predict. Aromatic ethers offer competing docking sites for alcohols: the ether oxygen as a well known hydrogen bond acceptor, but also the aromatic π system. The interaction with two aromatic moieties in diphenyl ether can tip the balance towards π binding. We use a multi-spectroscopic approach to study the molecular recognition, the structure and internal dynamics of the diphenyl ether–methanol complex, employing infrared, infrared-ultraviolet and microwave spectroscopy. We find that the conformer with the hydroxy group of the alcohol binding to one aromatic π cloud and being coordinated by an aromatic C–H bond of the other phenyl group is preferred. Depending on the expansion conditions in the supersonic jet, we observe a second conformer, which exhibits a hydrogen bond to the ether oxygen and is higher in energy.

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Language(s): eng - English
 Dates: 2016-05-242016-08-212016-09-082016-10-07
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1039/C6CP03557D
 Degree: -

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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: - Volume / Issue: 18 (37) Sequence Number: - Start / End Page: 25975 - 25983 Identifier: ISSN: 1463-9076
CoNE: /journals/resource/954925272413_1