title: Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complex.
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.
authors.affiliation: Max-Planck-Institut für Struktur und Dynamik der Materie, Luruper Chaussee 149, D-22761 Hamburg, Germany. melanie.schnell@mpsd.mpg.de and The Hamburg Centre for Ultrafast Imaging (CUI), Luruper Chaussee 149, D-22761 Hamburg, Germany.
authors.forename: Chris
authors.initials: C
authors.lastname: Medcraft
authors.affiliation: Max-Planck-Institut für Struktur und Dynamik der Materie, Luruper Chaussee 149, D-22761 Hamburg, Germany. melanie.schnell@mpsd.mpg.de and The Hamburg Centre for Ultrafast Imaging (CUI), Luruper Chaussee 149, D-22761 Hamburg, Germany.
authors.forename: Sabrina
authors.initials: S
authors.lastname: Zinn
authors.affiliation: Max-Planck-Institut für Struktur und Dynamik der Materie, Luruper Chaussee 149, D-22761 Hamburg, Germany. melanie.schnell@mpsd.mpg.de and The Hamburg Centre for Ultrafast Imaging (CUI), Luruper Chaussee 149, D-22761 Hamburg, Germany.
authors.forename: Melanie
authors.initials: M
authors.lastname: Schnell
authors.affiliation: Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany. msuhm@gwdg.de.
authors.forename: Anja
authors.initials: A
authors.lastname: Poblotzki
authors.affiliation: Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany. msuhm@gwdg.de.
authors.forename: Jonas
authors.initials: J
authors.lastname: Altnöder
authors.affiliation: Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany. msuhm@gwdg.de.
authors.forename: Matthias
authors.identifier: http://orcid.org/0000-0002-8561-6423
authors.initials: M
authors.lastname: Heger
authors.affiliation: Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany. msuhm@gwdg.de.
authors.forename: Martin A
authors.identifier: http://orcid.org/0000-0001-8841-7705
authors.initials: MA
authors.lastname: Suhm
authors.affiliation: Fachbereich Chemie and Research Center Optimas, TU Kaiserslautern, Erwin-Schrödinger-Str. 52, D-67663 Kaiserslautern, Germany. gerhards@chemie.uni-kl.de.
authors.forename: Dominic
authors.initials: D
authors.lastname: Bernhard
authors.affiliation: Fachbereich Chemie and Research Center Optimas, TU Kaiserslautern, Erwin-Schrödinger-Str. 52, D-67663 Kaiserslautern, Germany. gerhards@chemie.uni-kl.de.
authors.forename: Anke
authors.initials: A
authors.lastname: Stamm
authors.affiliation: Fachbereich Chemie and Research Center Optimas, TU Kaiserslautern, Erwin-Schrödinger-Str. 52, D-67663 Kaiserslautern, Germany. gerhards@chemie.uni-kl.de.
authors.forename: Fabian
authors.initials: F
authors.lastname: Dietrich
authors.affiliation: Fachbereich Chemie and Research Center Optimas, TU Kaiserslautern, Erwin-Schrödinger-Str. 52, D-67663 Kaiserslautern, Germany. gerhards@chemie.uni-kl.de.
authors.forename: Markus
authors.initials: M
authors.lastname: Gerhards