期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 18, 期 37, 页码 25975-25983出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp03557d
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资金
- Deutsche Forschungsgemeinschaft [Ge 961/9-1, Schn 1280/4-1, Su 121/5-1, SPP 1807]
- Fonds der Chemischen Industrie via a Dozentenstipendium
- excellence cluster 'The Hamburg Centre for Ultrafast Imaging - Structure, Dynamics and Control of Matter at the Atomic Scale' of the Deutsche Forschungsgemeinschaft
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 pi system. The interaction with two aromatic moieties in diphenyl ether can tip the balance towards pi 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 pi 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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