Table of contents
Oral Sessions (Day1, Day2, Day3)
Poster Presentations
- Day 3, May 21（Fri.） Room P1 (Zoom)
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3P-33 PDF
DFT calculation and evaluation of weak interactions between crystalline sponge and 1,3-benzodioxole derivatives for studying LDI-MS
Laser desorption ionization mass spectrometry (LDI-MS) was applied to the molecules encapsulated in the crystalline sponge (CS). The CS method has made it possible to investigate the presence of target molecules within the CS framework by single crystal X-ray analysis. In this study, DFT calculations were applied to 1,3-benzodioxole derivatives to investigate weak interactions among samples and the CS framework.