Grid-based dynamic electronic publication: A case study using combined experiment and simulation studies of crown ethers at the air/water interface.
Esther R Rousay, Hongchen Fu, Jamie M Robinson, Jeremy G Frey, Jonathan W Essex
School of Chemistry, University of Southampton,
Highfield, Southampton, SO17 1BJ, UK

Abstract The Publication@Source Paradigm and Challenges Body Molecular Dynamics Simulations Comparisons and Conclusions Acknowledgements Appendix:The TriScapeRDF browser References Glossary Search
Case Study Crown ether molecules at the water/air interface Introduction Benzo-15-Crown-5 UV Spectrum of Benzo-15-Crown-5 Surface Tension Measurements Second Harmonic Generation SHG Isotherm SHG Isotherm .2 Polarisation Dependence Polarisation Dependance Analysis The molecular hyperpolarisability and molecular orientation The molecular hyperpolarisability and molecular orientation .2 Analysis

UV Spectrum of Benzo-15-Crown-5

A UV spectrum of a 0.57 mM solution of the benzo-15-crown-5 solution is shown in figure 3 showing the aromatic absorption, λmax=275 nm, which is close to the chosen SHG wavelength (266nm) so some resonance enhancement of the SHG intensity can be expected.

Figure 3: The UV spectrum of benzo-15-crown-5. The figure is linked to the data presented in a spreadsheet with spectra at different crown ether concentrations.<>

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