 |
 |
************** my apologies for cross postings *************** Dear colleagues, please bring this opportunitiy to the attention of potential candidates best regards Otto Dopfer **************************************************************** 2 PhD positions funded by DFG (German Science Foundation) for 3 years are available in the laser molecular spectroscopy group of Otto Dopfer at the Technical University of Berlin, Germany. The predominantly experimental research of our group involves the laser spectroscopic, mass spectrometric, and quantum chemical investigation of molecules, radicals, ions, clusters, and nanostructures in the gas phase, with strong relevance to a broad range of interdisciplinary topics ranging from biophysics, catalysis, astrochemistry, environmental chemistry, and plasma physics to materials science. The two funded projects deal with: Project A: Photoionisation-induced site switching in aromatic molecule – solvent recognition Project B: Electronic Structure of Silicon-containing Clusters and Nanodiamondoids Brief summaries of both projects are given below. Available equipment includes pulsed IR and UV lasers, several ion sources and rf-traps, as well as several types of mass spectrometers. Both projects involve national and international collaborations with groups in Germany, Japan, France and Netherlands, so that the PhD student will participate in international exchange. Moreover, we have regular access to large-scale facilities such as the IR free electron lasers CLIO and FELIX in France/Netherlands. Qualified candidates should hold a Master in Physics, Chemistry, or related fields. Experience in several of the following fields is of advantage: (1) laser spectroscopy (2) mass spectrometry (3) ion sources (EI, CI, MALDI, ESI, laser desorption) (4) ion traps (5) vacuum physics (6) molecular beams (7) cluster science (8) data acquisition (9) construction of apparatus (10) writing of publications, reports, and proposals (11) communication skills Interested and highly qualified candidates are encouraged to send their application to Prof. Otto Dopfer ([log in to unmask]), including - a cover letter - a CV (including a list of publications) - a statement of qualifications relevant for the position (max. 1 page) - a statement of research interests (max. 1 page) - names and complete addresses of two referees. Evaluation of the applications will begin at September 15 (2013) and will continue until the positions are filled. The desired starting date is negotiable but is expected to be before January 2014. Berlin is an international city at the heart of Europe and offers an exciting scientific and cultural environment. For further information, please contact: Prof. Dr. Otto Dopfer Institut fuer Optik und Atomare Physik Technische Universitaet Berlin Hardenbergstrasse 36, D-10623 Berlin Germany [log in to unmask] http://www.ioap.tu-berlin.de/menue/arbeitsgruppen/ag_dopfer/ Tel + 49 30 314 23017 Fax + 49 30 314 23018 summary project A This project aims at the laser spectroscopic and quantum chemical characterization of size-selected aromatic ion-ligand clusters isolated in the gas phase, to determine the potential energy surface describing the involved intermolecular ion-ligand interaction. Target molecules are aromatic cations of biophysical relevance, including benzene derivatives, amino acids, neurotransmitters, amides, and small peptides. These biomolecules are microsolvated by a controlled number of (non)polar solvent molecules, mainly rare gas atoms, molecular nitrogen, water, and methanol to mimic both hydrophobic and hydrophilic solvation. A particular focus lies on the characterization of the energetics and dynamics of photoionization-induced ligand site-switching processes. We aim at a molecular-level understanding of intermolecular solvent rearrangement dynamics of (non)polar ligands around biological molecules, such as hydrated proteins, often called biological/interfacial water. To this end, in a joint international German-Japanese collaborative effort (DFG-JSPS) with the group of Masaaki Fujii in Tokyo Technical University, unique and complementary state-of-the-art experimental strategies are combined for the static and time-resolved spectroscopy to explore fundamental parameters of the solvation sites (energetics, rearrangement dynamics, reaction mechanism, barriers, dependence on solvent type, degree of solvation, internal energy,…). Significantly, these benchmark results are the first direct time-resolved observations of dynamical intermolecular isomerization processes in such clusters. In particular, they are the first data for monitoring the motion of single specific ligands around biomolecules, such as water migration and water network rearrangement around peptide linkages. As such, these data have invaluable importance as benchmark for modelling the motion of water solvent around proteins. Recent key references include: 1. Ionization-induced site switching dynamics in solvated aromatic clusters: Phenol-(rare gas)n clusters as prototypical example, Fujii and Dopfer, Int. Rev. Phys. Chem. 31, 131-173 (2012) DOI: 10.1080/0144235X.2012.656013 2. Watching Water Migration around a Peptide Bond, Tanabe, Miyazaki, Schmies, Patzer, Schütz, Sekiya, Sakai, Dopfer, Fujii*, Angew. Chem. Int. Ed. 51, 6604-6607 (2012), DOI: 10.1002/anie.201203296, classified as very important paper (selected for cover) summary project B This project aims at the vibrational and electronic characterization of silicon‑containing clusters and nanostructures in order to explore and understand at the molecular level the possibilities to control and tailor their structural, energetic, electronic (optical), and chemical properties as a function of the following adjustable parameters: Si cluster size, degree of hydrogen passivation, charge state, type of adsorbate, degree of microsolvation, doping with atoms of first-row elements, and substitution of functional groups. As a second class of material, we characterize the geometric and electronic structure of pristine, doped, and functionalized nanodiamondoids and their hybrids. The species of interest include substituted and doped adamantanes, larger diamondoids, and chemically coupled hybrids of sp3 diamondoids with sp2 hydrocarbons. These modifications are expected to have a strong impact on the electronic structure and chemical stability of the bare systems induced by molecular orbital interactions, charge transfer, and sp2-sp3 coupling, leading to new nanostructures with potential applications in nanoscale photonic devices. The state-of-the-art techniques to study both the silicon and carbon compounds include mass spectrometry, IR and UV laser spectroscopy, and quantum chemistry applied to size‑selected clusters generated in molecular beams using a variety of cluster sources. This project is part of a larger research unit (10 projects) and thus offers great potential for national/international collaborations. Recent key references are: 1. IR Spectrum and Structure of the Adamantane Cation: Direct Evidence for Jahn-Teller distortion, A. Patzer, M. Schütz, Th. Möller, O. Dopfer, Angew. Chem. Int. Ed. 51, 4925-4929 (2012) DOI: 10.1002/anie.201108937, classified as very important paper (selected for cover) 2. Vibrational Spectra and Structures of Neutral SinCm Clusters (m+n=6): Sequential Doping of Silicon Clusters with Carbon Atoms, M. Savoca, J. Langer, A. Lagutschenkov, D. J. Harding, A. Fielicke, O. Dopfer, J. Phys. Chem. A 117, 1158-1163 (2013), DOI: 10.1021/jp305107f 3. IR Spectrum and Structure of Protonated Disilane: Probing the Si-H-Si Proton Bridge, M. Savoca, J. Langer, O. Dopfer, Angew. Chem. Int. Ed. 52, 1568-1571 (2013), DOI: 10.1002/anie.201208958, classified as highly important paper (selected for cover) Prof. Dr. Otto Dopfer Institut fuer Optik und Atomare Physik Technische Universitaet Berlin Hardenbergstrasse 36 D-10623 Berlin Germany [log in to unmask] http://www.ioap.tu-berlin.de/menue/arbeitsgruppen/ag_dopfer/ Tel + 49 30 314 23017 Fax + 49 30 314 23018 Tel +49 30 314 23022/25 (Labor) Raum EW 338 Sekretariat: Fr. Marion Magalowski (EW 3-1) + 49 30 314 23012 Fr. Sabine Remus (EW 3-1) + 49 30 314 24887 To join or leave the molecular-dynamics-news email list, go to: http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html