Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 11, Issue 7, Pages 2422-2429Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.0c00329
Keywords
-
Categories
Funding
- Japan Society for the Promotion of Science (JSPS) KAKENHI [JP26104504, JP16H00821, JP19K05362, JP17H04865, JP19K22159, JP19K15505, 2503]
- JGC-S Scholarship Foundation
Ask authors/readers for more resources
We studied the supramolecular structure between barbituric acid (pyrimidine-2,4,6(1H,3H,5H)-trione, BA) and an amphiphilic melamine derivative at the air/water interface by heterodyne-detected vibrational sum frequency generation (HD-VSFG) spectroscopy. HD-VSFG measurements in situ showed a positive broad band from 2300 to 2950 cm(-1). By comparing the experimental results with ab initio molecular dynamics (AIMD) simulations, we assigned the broad band to the NH stretching modes of BA strongly hydrogenbonded to the melamine derivative. In addition, we report in situ HD-VSFG spectra of the interfacial supramolecular structure in the CO stretching region. Two CO stretching bands were identified. On the basis of the signs of the C=O bands, we uniquely determined the orientation of BA. The strong hydrogen bonds and the molecular orientations are direct evidence for the supramolecular structure based on complementary hydrogen bonds at the air/water interface.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available