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MOLECULAR-DYNAMICS-NEWS  September 2018

MOLECULAR-DYNAMICS-NEWS September 2018

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Subject:

Two PhD positions in physical organic chemistry / spectroscopy

From:

Christian Merten <[log in to unmask]>

Reply-To:

Christian Merten <[log in to unmask]>

Date:

Mon, 3 Sep 2018 12:47:32 +0200

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**Two PhD positions available**

in the physical organic chemistry group of Dr. C. Merten at Ruhr 
University Bochum, Germany (www.rub.de/chirality).


*Project 1: Enantiodiscrimination via halogen bonding*

Halogen bonds (XBs) occur between the electrophilic end of a 
carbon-halogen bond and Lewis bases and are predicted to be potentially 
as strong as hydrogen bonds. they are of constantly growing interest as 
directing interactions in catalysis and supramolecular chemistry. 
Likewise, they have become important design elements for the development 
of pharmaceutically active compounds. In this project, we want to 
combine cryospectroscopy with VCD measurements, which invovles the 
measurement of VCD spectra for solutions of chiral solutes in liquid 
rare gases. These experimentes will bring us into the unique situation 
of being able to characterize the stereochemical aspects of the 
interaction of chiral XB-donors and acceptors in solution phase without 
interference with potentially stronger solute-solvent interactions.


*Project 2: Matrix-isolation VCD spectroscopy*

The isolation of molecules in solid rare gas matrices is frequently used 
to study photochemical reactions such as photo-isomerizations or 
photofragmentation reactions. We have combined the MI-technique with VCD 
spectroscopy and recently shown that MI-VCD spectra can be recorded for 
photoisomerization products of chiral molecules (ANIE 56 (2017) 1925). 
In this project, we want to study chiral reactive intermediates such as 
carbenes and investigate the influence of the intermediate's spin state 
on its VCD spectra.


*Requirements*

Both projects are interdisciplinary and require both spectroscopic 
developments as well as organic synthesis of the investigated molecules. 
The candidate will continue the development of CryoVCD spectroscopy and 
run VCD measurements on chiral XB-systems. In the second project, the 
candiate will carry out photochemical reactions under MI-conditions and 
record the MI-VCD spectra of the resulting products. Hence, for both 
projects some experience with vibrational spectroscopy and DFT-based 
spectra calculations will be beneficial. The candidates will also 
perform organic synthesis of chiral XB-donors and -acceptors or 
photochemically reactive molecules by following mainly published procedures.

Suitable candidates should have a solid background in physical or 
physical organic chemistry and be interested in experimental laboratory 
work on the interface between organic chemistry and spectroscopy. The 
candidates should be highly self-motivated and good teamworkers.

Any enquiries as well as applications with all usual documents 
(certificates, transcripts, ....), a meaningful motivation letter for 
either of the projects and contact details of 2-3 referees should be 
send by email to: [log in to unmask]

Applications received until Oct 1st, 2018, will be considered.



-- 
Dr. Christian Merten

Ruhr-University Bochum
Faculty of Chemistry and Biochemistry
44801 Bochum, Germany

Phone: +49 234 32 24529
Email: [log in to unmask]
Web:   www.rub.de/chirality

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