Solvation Science Student Challenge (S3C)

How to submit

The qualification phase is all about identifying the most promising approaches, solutions and innovators.

You need to submit your solutions for the "Solvation Science Challenge" in this Submission Template.

To really make your ideas stand out, you can include other documents such as a more detailed concept, graphics, videos, explanations, or references to important resources and content.

Note: If there is the possibility of having carried out concrete experiments in the laboratory, please also provide the exact description, results and evaluation incl. discussion of these experiments.

Guiding Questions

The models that are referred to in the story and in the key publication (see Important Details) do not seem to be sufficient for an accurate prediction of the selectivity of these types of reactions.

The key questions: How can the influence of the solvent affect selectivity? And thus how might reactions be shifted into a certain direction by a smart and innovative solvent design?

Your task: Derive a suitable model that describes reactions with the unusual energy profile mentioned above and that takes the influence of the solvent into account, based on further literature research.

The following guiding questions are for your inspiration to tackle the given issue. It is not mandatory to answer all of them.

General

• Why do the models used so far not provide sufficiently accurate results?
• Which factors or parameters should be considered in a new model that have been neglected in the models used so far?
• How do you ensure that solvent effects are taken into account in your model?
• What other models are used in the literature (e.g. also from other disciplines) to describe catalyzed reactions?

Track 1 - Synthesis

• Which conditions and parameters should be changed and which conditions and parameters should NOT be changed?
• Which properties of a solvent are important for the interaction with the reaction intermediates?
• Which solvents should have a high influence on the reaction?

Track 2 - Spectroscopy

• Which spectroscopic methods are suitable to investigate homogeneous catalyzed reactions?
• What test measurements need to be taken to ensure that the measurements are meaningful?
• What parameters have to be considered to test the model?

Track 3 - Computing

• Which computational methods can be used to simulate the model?
• Which parameters have to be variied in order to test the model?
• What (statistical) tests can validate the method?

The focus should be on freely accessible tools/software if applicable (in case of the Track III „Computing“ for example).

Evaluation criteria

• Consideration of the Challenge Briefing and the raised issues
• Feasibility and comprehensiveness of the proposed idea/model
• Presentation and quality of project proposal