Orientation of Methylguanidinium Ions at the Water–Air Interface
| Autor: | Simona Strazdaite, Huib J. Bakker, Jan Versluis, Niklas Ottosson |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Surface (mathematics)
Aqueous solution 010304 chemical physics Antisymmetric relation Chemistry Plane (geometry) 010402 general chemistry Polarization (waves) 01 natural sciences Molecular physics Article 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Ion Molecular dynamics Crystallography General Energy Orientation (geometry) 0103 physical sciences Physical and Theoretical Chemistry |
| Zdroj: | The Journal of Physical Chemistry. C, Nanomaterials and Interfaces |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | We use heterodyne-detected vibrational sum-frequency generation (HD-VSFG) to determine the orientation of the molecular plane of methylguanidinium ions at the surface of aqueous solutions. We measure the VSFG response of the symmetric and antisymmetric methyl stretch vibrations of the methylguanidinium ion with different polarization combinations. We find that for at least 50% of the methylguanidinium ions the molecular plane is at an angle >20° with respect to the surface plane. Hence, for only a minor fraction of the ions does the molecular plane have an orientation (near-)parallel to the surface plane, in contrast to the predictions of recent molecular dynamics simulation studies. |
| Databáze: | OpenAIRE |
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