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Orientation of Methylguanidinium Ions at the Water-Air Interface.

ABSTRACT: 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.

SUBMITTER: Strazdaite S 

PROVIDER: S-EPMC5677249 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature

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Orientation of Methylguanidinium Ions at the Water-Air Interface.

Strazdaite S S   Versluis J J   Ottosson N N   Bakker Huib J HJ  

The journal of physical chemistry. C, Nanomaterials and interfaces 20170914 42

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  ...[more]

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