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Kreuch, Tobias; Meierott, Stefan; Néel, Nicolas; Beenken, Wichard J. D.; Kröger, Jörg
Atom-by-atom dehalogenation of a porphyrin molecule adsorbed on Ag(111). - In: The journal of physical chemistry, ISSN 1932-7455, Bd. 118 (2014), 51, S. 30162-30169

Porphyrin molecules are ubiquitous and play an important role in chemical and biological processes. Their wide panoply of functions may be controlled by modifying their peripheral substituents. Electron injection from the tip of a scanning tunneling microscope into single 5,10,15,20-tetrakis(4-bromophenyl)-porphyrin-cobalt molecules adsorbed to Ag(111) was used to controllably remove Br atoms from the molecule periphery. Spectroscopy of the differential conductance, together with density functional calculations, assign spectral features to the spectroscopic signatures of molecular frontier orbitals. Different molecular orbitals are visible in the spectra of intact and dehalogenated molecules. These findings combine single-molecule chemistry with a characterization of each product's electronic structure.



http://dx.doi.org/10.1021/jp508165c
Presselt, Martin; Wojdyr, Michal; Beenken, Wichard J. D.; Kruk, Mikalai; Martínez, Todd J.
Steric and electronic contributions to the core reactivity of monoprotonated 5-phenylporphyrin: a DFT study. - In: Chemical physics letters, Bd. 603 (2014), S. 21-27

http://dx.doi.org/10.1016/j.cplett.2014.04.011
Biank, Hans-Christian; Žochovec, Svjatoslav; Gobsch, Gerhard; Runge, Erich; Sensfuss, Steffi; Klemm, Elisabeth; Andrä, Gudrun
Optical spectroscopy of photovoltaic systems based on low-bandgap polymers. - In: Thin solid films, ISSN 1879-2731, Bd. 560 (2014), S. 77-81

http://dx.doi.org/10.1016/j.tsf.2013.11.025
Korshunova, Ksenia; Beenken, Wichard J. D.
Quantumchemical calculation of Zn-porphyrine-indolocarbazole-conjugates. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section [SKM] together with the DPG Divisions: Microprobes, the Working Groups: Industry and Business, young DPG as well as the Committee Accelerator Physics ; March 30 - April 4, 2014, Technical University of Dresden, 2014, CPP 8.1

Beenken, Wichard J. D.; Ulbrich, Angela; Reinmöller, Markus; Krischok, Stefan
Photoelectron spectroscopy on ionic liquid surfaces - theory and experiment. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section [SKM] together with the DPG Divisions: Microprobes, the Working Groups: Industry and Business, young DPG as well as the Committee Accelerator Physics ; March 30 - April 4, 2014, Technical University of Dresden, 2014, CPP 19.3

Winterfeld, Lars; Runge, Erich
Ab-inito MD parameter estimation for Na diffusion in glasses. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section [SKM] together with the DPG Divisions: Microprobes, the Working Groups: Industry and Business, young DPG as well as the Committee Accelerator Physics ; March 30 - April 4, 2014, Technical University of Dresden, 2014, DY 13.7

Stockschläder, Jan Marc; Runge, Erich
Optimizing binary profiles for metallic solar cell back-plane reflectors. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section [SKM] together with the DPG Divisions: Microprobes, the Working Groups: Industry and Business, young DPG as well as the Committee Accelerator Physics ; March 30 - April 4, 2014, Technical University of Dresden, 2014, HL 81.6

Schwarz, Felix; Wang, Yongfeng; Berndt, Richard; Runge, Erich; Hofer, Werner A.; Kröger, Jörg
Ab-initio calculation of the vibrational spectra of single molecules. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section [SKM] together with the DPG Divisions: Microprobes, the Working Groups: Industry and Business, young DPG as well as the Committee Accelerator Physics ; March 30 - April 4, 2014, Technical University of Dresden, 2014, O 63.6

Leipold, David; Niu, Wendy; Ibbotson, Lindsey; Prakash, Vijaya; Baumberg, Jeremy; Runge, Erich
Coupled photon-exciton modes in CHPI-based devices. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section [SKM] together with the DPG Divisions: Microprobes, the Working Groups: Industry and Business, young DPG as well as the Committee Accelerator Physics ; March 30 - April 4, 2014, Technical University of Dresden, 2014, O 79.9

Ulbrich, Angela; Reinmöller, Markus; Beenken, Wichard J. D.; Krischok, Stefan
Photoelectron spectroscopy on ionic liquid surfaces - theory and experiment. - In: Journal of molecular liquids, ISSN 1873-3166, Bd. 192 (2014), S. 77-86

http://dx.doi.org/10.1016/j.molliq.2014.01.007