Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water

Author:

Bernhard D.1234ORCID,Fatima M.56789ORCID,Poblotzki A.1011124ORCID,Steber A. L.56789ORCID,Pérez C.56789ORCID,Suhm M. A.1011124ORCID,Schnell M.56789ORCID,Gerhards M.1234ORCID

Affiliation:

1. TU Kaiserslautern

2. Fachbereich Chemie & Research Center Optimas

3. D-67663 Kaiserslautern

4. Germany

5. Deutsches Elektronen-Synchrotron (DESY)

6. Notkestr. 85

7. D-22607 Hamburg

8. Germany & Institute of Physical Chemistry

9. Christian-Albrechts-Universität zu Kiel

10. Institut für Physikalische Chemie

11. Universität Göttingen

12. D-37077 Göttingen

Abstract

The planarity and rigidity of dibenzofuran inverts the docking preference for increasingly bulky R-OH solvent molecules, compared to the closely related diphenyl ether. Now, London dispersion favors OH⋯π hydrogen bonding.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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