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  The Effect of Dispersion on the Structure of Diphenyl Ether Aggregates

Dietrich, F., Bernhard, D., Fatima, M., Pérez, C., Schnell, M., & Gerhards, M. (2018). The Effect of Dispersion on the Structure of Diphenyl Ether Aggregates. Angewandte Chemie, International Edition in English, 57(30), 9534-9537. doi:10.1002/anie.201801842.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-F60E-B Version Permalink: http://hdl.handle.net/21.11116/0000-0001-F60F-A
Genre: Journal Article

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Dietrich_et_al-2018-Angewandte_Chemie_International_Edition.pdf (Publisher version), 2MB
 
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https://dx.doi.org/10.1002/anie.201801842 (Publisher version)
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 Creators:
Dietrich, F.1, Author
Bernhard, D.1, Author
Fatima, Mariyam2, 3, Author              
Pérez, C.2, 3, Author              
Schnell, M.2, 3, 4, Author              
Gerhards, M.1, Author
Affiliations:
1Fachbereich Chemie and Research Center Optimas, TU Kaiserslautern, ou_persistent22              
2Deutsches Elektronen-Synchrotron (DESY), ou_persistent22              
3Structure 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              
4Christian-Albrechts-Universität zu Kiel, Institut für Physikalische Chemie, ou_persistent22              

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Free keywords: dispersion, molecular complexes, non-covalent interactions, rotational spectroscopy, vibrational spectroscopy
 Abstract: Dispersion interactions can play an important role in understanding unusual binding behaviors. This is illustrated by a systematic study of the structural preferences of diphenyl ether (DPE)–alcohol aggregates, for which OH⋅⋅⋅O‐bound or OH⋅⋅⋅π‐bound isomers can be formed. The investigation was performed through a multi‐spectroscopic approach including IR/UV and microwave methods, combined with a detailed theoretical analysis. The resulting solvent‐size‐dependent trend for the structural preference turns out to be counter‐intuitive: the hydrogen‐bonded OH⋅⋅⋅O structures become more stable for larger alcohols, which are expected to be stronger dispersion energy donors and thus should prefer an OH⋅⋅⋅π arrangement. Dispersion interactions in combination with the twisting of the ether upon solvent aggregation are key for understanding this preference.

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Language(s): eng - English
 Dates: 2018-03-302018-02-102018-06-272018-07-20
 Publication Status: Published in print
 Pages: 4
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1002/anie.201801842
 Degree: -

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Title: Angewandte Chemie, International Edition in English
  Other : Angewandte Chemie International Edition in English
  Other : Angew. Chem., Int. Ed. Engl.
  Other : Angew. Chem. Int. Ed. Engl.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: 4 Volume / Issue: 57 (30) Sequence Number: - Start / End Page: 9534 - 9537 Identifier: ISSN: 0570-0833
CoNE: /journals/resource/0570-0833