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Communication: Structural locking mediated by a water wire: A high-resolution rotational spectroscopy study on hydrated forms of a chiral biphenyl derivative

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons188933

Domingos,  Sérgio R.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany;
The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons188136

Pérez,  Cristóbal
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany;
The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons22077

Schnell,  Melanie
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany;
The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany;

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Citation

Domingos, S. R., Pérez, C., & Schnell, M. (2016). Communication: Structural locking mediated by a water wire: A high-resolution rotational spectroscopy study on hydrated forms of a chiral biphenyl derivative. The Journal of Chemical Physics, 145(16): 161103. doi:10.1063/1.4966584.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002B-B92F-0
Abstract
We report the observation of structural changes in an axially chiral molecule, biphenyl-2-carboxaldehyde, due to aggregation with water. Using high-resolution broadband rotational spectroscopy we find that two water molecules link opposite sides of the molecule, resembling a water wire. We show that this effect can be explained by a cooperative rearrangement of both molecule and a water dimer. Hydrogen bonding interactions are shown to change the original structure upon aggregation of water. This phenomenon is insightful on the role of microsolvation in assisting structural morphing of stereo-selective chiral molecular systems.