Viewing archived talks containing the keyword: 17
Speaker: Dr Jeremy Burroughes (Cambridge Display Technologies Ltd)
The information on this talk is not live. For up-to-date details please visit: https://talks.st-andrews.ac.uk/
You can find out more about Dr Jeremy Burroughs in the Royal Society Fellows Directory
On: January 30, 2018 From: 15h30 To: 16h30View talk
Speaker: Dr Jeremy Burroughes ()
The information posted here is not live. For up-to-date information please visit the Glasgow Seminar Site.
You can find out more about Dr Jeremy Burroughes in the Royal Society Fellowship Directory.
On: January 31, 2018 From: 16h00 To: 17h00View talk
Speaker: Guido Clever (Dortmund)
Multifunctional and Stimuli-responsive Coordination Cages G. H. Clever * Department of Chemistry and Chemical Biology, TU Dortmund University, Germany guido.clever@tu -dortmund.de Banana -shaped bis-monodentate ligands react with Pd(II) cations to coordination compounds with a broad range of topologies from small Pd 2L4 cages, their interpenetrated dimers, rings of various size up to large Pd 24L48 spheres. 1 We introduce stimuli-responsive behaviour triggered by small molecules or light leading to the modulation of guest affinity 2 or complete structural reorganization (Figure a). 3 Interpenetrated double cages consisting of donor and acceptor moieties were shown to undergo light-induced charge separation but suffer from a lack of control over stoichiometry and stereochemistry (Figure b). 4 Therefore, we recently started to apply principles of geometric shape complementarity to control the structure and composition of heteroleptic cages (Figure c). 5 On the other hand, circularly polarized luminescence (CPL) was observed for chiral Pt(II) complexes (Figure d). 6 Advanced self -assembly strategies will enable the targeted synthesis of supra-molecular systems and materials with increasing structural and functional complexity. Figure 1 Light -responsive coordination cages and chiral organometallic luminophors 1. Reviews: a) M. Han, D. M. Engelhard, G. H. Clever, Chem. Soc. Rev. 2014, 43, 1848; b) M. Frank, M. D. Johnstone, G. H. Clever, Chem. Eur. J. 2016 , 22 , 14104. Recent examples: c) W. M. Bloch, J. J. Holstein, B. Dittrich, W. Hiller, G. H. Clever, Angew. Chem. Int. Ed. 2018, 57, 5534; d) R. Zhu, I. Regeni, J. J. Holstein, B. Dittrich, M. Simon, S. Prévost, M. Gradzielski, G. H. Clever, Angew. Chem. Int. Ed. 2018 , DOI: 10.1002/ani e.201806047. 2. a) S. Löffler, J. Lübben, L. Krause, D. Stalke, B. Dittrich, G. H. Clever, J. Am. Chem. Soc. 2015, 137, 1060; b) M. Han, R. Michel, B. He, Y. -S. Chen, D. Stalke, M. John, G. H. Clever, Angew. Chem. Int. Ed. 2013 , 52 , 1319. 3. a) R. Zhu, J. Lübben, B. Dittrich, G. H. Clever, Angew. Chem. Int. Ed. 2015, 54, 2796; b) M. Han, Y. Luo, B. Damaschke, L. Gómez, X. Ribas, A. Jose, P. Peretzki, M. Seibt, G. H. Clever, Angew. Chem. Int. Ed. 2016, 55 , 445 . 4. M. Frank, J. Ahrens, I. Bejenke, M. Krick, D. Schwarzer, G. H. Clever, J. Am. Chem. Soc. 2016 , 138 , 8279. 5. a) W. M. Bloch, Y. Abe, J. J. Holstein, C. M. Wandtke, B. Dittrich, G. H. Clever, J. Am. Chem. Soc. 2016, 138, 13750; b) W. M. Bloch, J. J. Holstein, W. Hiller, G. H. Clever, Angew. Chem. Int. Ed. 2017 , 56 , 8285. 6. T. R. Schulte, J. J. Holstein, L. Krause, R. Michel, D. Stalke, E. Sakuda, K. Umakoshi, G. Longhi, S. Abbate, G. H. Clever, J. Am. Chem. Soc. 2017 , 139 , 6863.
On: November 28, 2018 From: 14h00 To: 15h00View talk
Using ab initio approaches to model, predict and understand the optical properties of organic and inorganic dyes - Joint Chemistry/Physics Colloquium
Speaker: Denis Jacquemin (Nantes)
Using ab initio approaches to model, predict and understand the optical properties of organic and inorganic dyes Denis Jacquemin Laboratoire CEISAM, UMR CNRS n°6230, Université de Nantes, 2, rue de la Houssinière, 44322 Nantes, Cedex 3, France. Denis.Jacquemin@univ -nantes.fr During this lecture, I will illustrate some of the successes and failures of Time-Dependent Density Functional Theory (TD -DFT) in simulating the properties of electronically excited -states, with a specific interest on structures of interest for dye chemistry. 1-2 Notably, I will discuss the importance of calculating vibronic effects to obtain accurate comparisons with experimental data, including 0 -0 energies and band shapes, and illustrate this aspect with several examples. 3 I will also present examples of applications of TD -DFT to real-life structures used in LEDs focussing on two examples: ESIPT -based organic dyes for white OLEDs 4 and inorganic complexes used in blue/green/red phosphors. 5 1 D. Jacquemin, C. Adamo, Chem. Soc. Rev., 2013, 42, 845 . 2 D. Jacquemin, C. Adamo, Top. Curr. Chem.. , 2016 , 368 , 345 . 3 F. Santoro, D. Jacquemin, Wires. Comput. Mol. Sci. 2016, 6, 460. 4 A. Steffen, K. Costuas, A. Bouccekkine, M. H. Thibault, A. Beeby, A. S. Batsanov, D. Jacquemin, A. Charaf -Eddin, J. F. Halet, T. D. Marder Inorg. Chem. , 2014 , 53 , 7055 . 5 E. Heyer, K. Benelhadj, S. Budzak, D. Jacquemin, J. Massue, G. Ulrich Chem. Eur. J ., 2017, 23, 7324 . 6 D W . Zhang, D. Jacquemin, Q. Peng, Z. Suhai, D. Escudero, J. Phys. Chem. C, 2018 , 122 , 6340 .
On: February 6, 2019 From: 14h00 To: 15h00View talk
Speaker: Greg Scholes (Princeton)
Probing Ultrafast Chemical Dynamics Inspired by the Rhythms of Fireflies Coherence phenomena arise from interference, or the addition, of wave -like amplitudes in phase  . While coherence has been shown to yield transformative new ways for improving function, advances have been limited to pristine matter, as quantum coherence is considered fragile. Here I will discuss how vibrational an d vibronic wavepackets entrain ensembles of molecules, like the synchronized flashing of fireflies . I will discuss how this can be used to probe mechanisms of ultrafast dynamics and how in -step vibrational motion might be employed to control function on ul trafast timescales. I will give examples that include light -harvesting in photosynthesis, energy flow in organometallic molecules that is ‘wired’ by Fermi resonance, and ultrafast electron transfer in molecular systems.  Scholes, et al. “Optimal Coherence in Chemical and Biophysical Dynamics” Nature 543, 647 – 656 (2017) .
On: February 11, 2019 From: 13h00 To: 14h00View talk