Electronic structure and nuclear dynamics methods have greatly facilitated the interpretation of vibrational spectroscopy experiments. How about turning things around and designing spectroscopic studies to optimally assist in the assessment of quantum chemical tools? This experimental benchmarking approach is far from trivial, because nuclear dynamics stands between the electronic structure calculation and the measured vibrational spectrum, hence distorting the comparison in interesting ways. In a new research training group in Goettingen, this and other challenges in experimental benchmarking shall be tackled in a dozen of PhD research projects which ask for international mobility and for deep interest in the interplay between theory and experiment.
Specifically, project H uses subtle discrimination effects in vibrational spectra to learn more about established and newly proposed mechanisms of chirality recognition. Project I introduces molecular environment and thermal excitation in prototype molecules step-by-step. Both use powerful, one-of-their-kind infrared and Raman jet spectrometers.
The application deadline for well-funded PhD positions (3 years, 65% E13 TV-L) starting in January 2019 is October 5, 2018.
See http://bench.uni-goettingen.de and www.hbond.net for details and https://doi.org/10.1002/anie.201611308 for further reading.
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