Hydrogen Bonds and Molecular Orientations of Supramolecular Structure between Barbituric Acid and Melamine Derivative at the Air/Water Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy

被引：27

作者：

Okuno, Masanari ^{[2
]}

Yamada, Shuhei ^{[2
]}

Ohto, Tatsuhiko ^{[1
]}

Tada, Hirokazu ^{[1
]}

Nakanishi, Waka ^{[3
]}

Ariga, Katsuhiko ^{[3
,4
]}

Ishibashi, Taka-aki ^{[2
]}

机构：

[1] Osaka Univ, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan

[2] Univ Tsukuba, Grad Sch Pure & Appl Sci, Dept Chem, Tsukuba, Ibaraki 3058571, Japan

[3] NIMS, WPI, Int Ctr Mat Nanoarchitecton MANA, Tsukuba, Ibaraki 3050044, Japan

[4] Univ Tokyo, Grad Sch Frontier Sci, Dept Adv Mat Sci, Kashiwa, Chiba 2778561, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2020年 / 11卷 / 07期

基金：

日本学术振兴会;

关键词：

AIR-WATER-INTERFACE; RECOGNITION; MONOLAYER; NETWORK; SURFACE; AMPHIPHILE; ADSORPTION; RECEPTORS; COMPLEXES; SPECTRUM;

D O I：

10.1021/acs.jpclett.0c00329

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：2422 / 2429

页数：8

共 48 条

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