Novel Organic Materials: Charge-Transfer Based Functionality
Novel Organic Materials: Charge-Transfer Based Functionality
Disciplines
Chemistry (30%); Physics, Astronomy (70%)
Keywords
-
ESR,
Organic Materials,
Radicals,
Time Resolved Spect.,
Charge Transfer
The search for innovative functional materials is one of the main challenges in today`s synthetic organic chemistry. Such nanoscopic materials can find their use in electronics, molecular signal ing and even as organic magnets. This project comprises an investigation of innovative materials containing efficient donor and acceptor moieties embedded in a covalently joined molecular framework. These promising compounds, synthesized by the group of Prof. F. Diederich (ETH Zürich) in a very efficient way, reveal very intense optical absorptions and a vast palette of advantageous properties. Owing to our ample experience with the aspects of donor-acceptor chemistry, we merge forces to obtain a deeper insight into the intrinsic properties of these functional materials. Our expertise in the fields of (para)magnetic resonance, CIDNP, optical spectroscopy, and theoretical calculations enables us to investigate the electronic properties of these molecules. Moreover the response to photo-excitation in a time-resolved fashion will be studied by various appropriate methods. The measurements will be performed in fluid solutions and at the solid state. It is our aim to establish the electron-transfer-induced properties of bimolecular, monomolecular, and dendritic donor-acceptor systems. The investigation of model systems and a broad variety of systematically modified derivatives will provide the intrinsic factors required to develop rationally designed materials. The aims of this investigation is: - to establish the scope of these innovative materials - to distinguish between molecular and bulk properties - to indicate perspectives for future developments
The search for innovative functional materials is one of the main challenges in today`s synthetic organic chemistry. Such nanoscopic materials can find their use in electronics, molecular signal ing and even as organic magnets. This project comprises an investigation of innovative materials containing efficient donor and acceptor moieties embedded in a covalently joined molecular framework. These promising compounds, synthesized by the group of Prof. F. Diederich (ETH Zürich) in a very efficient way, reveal very intense optical absorptions and a vast palette of advantageous properties. Owing to our ample experience with the aspects of donor-acceptor chemistry, we merge forces to obtain a deeper insight into the intrinsic properties of these functional materials. Our expertise in the fields of (para)magnetic resonance, CIDNP, optical spectroscopy, and theoretical calculations enables us to investigate the electronic properties of these molecules. Moreover the response to photo-excitation in a time-resolved fashion will be studied by various appropriate methods. The measurements will be performed in fluid solutions and at the solid state. It is our aim to establish the electron-transfer-induced properties of bimolecular, monomolecular, and dendritic donor- acceptor systems. The investigation of model systems and a broad variety of systematically modified derivatives will provide the intrinsic factors required to develop rationally designed materials. The aims of this investigation is: to establish the scope of these innovative materials to distinguish between molecular and bulk properties to indicate perspectives for future developments
- Technische Universität Graz - 100%
Research Output
- 858 Citations
- 22 Publications
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2009
Title Organic Super-Acceptors with Efficient Intramolecular Charge-Transfer Interactions by [2+2] Cycloadditions of TCNE, TCNQ, and F4-TCNQ to Donor-Substituted Cyanoalkynes DOI 10.1002/chem.200802563 Type Journal Article Author Kivala M Journal Chemistry – A European Journal Pages 4111-4123 -
2008
Title One-Electron-Reduced and -Oxidized Stages of Donor-Substituted 1,1,4,4-Tetracyanobuta-1,3-dienes of Different Molecular Architectures DOI 10.1002/chem.200800716 Type Journal Article Author Kivala M Journal Chemistry – A European Journal Pages 7638-7647 -
2016
Title Hydrogen Bonding and Dielectric Spectra of Ethylene Glycol–Water Mixtures from Molecular Dynamics Simulations DOI 10.1021/acs.jpcb.6b05236 Type Journal Article Author Kaiser A Journal The Journal of Physical Chemistry B Pages 10515-10523 Link Publication -
2012
Title Methane Activation in Gold Cation-Exchanged Zeolites: A DFT Study DOI 10.1021/cs200653q Type Journal Article Author Wannakao S Journal ACS Catalysis Pages 986-992 -
2012
Title Donor-Substituted Octacyano[4]dendralenes: Investigation of p-Electron Delocalization in Their Radical Ions DOI 10.1021/jo301194y Type Journal Article Author Breiten B Journal The Journal of Organic Chemistry Pages 1760-1767 -
2014
Title Aggregates of PCBM molecules: A computational study DOI 10.1016/j.ijms.2014.01.019 Type Journal Article Author Kaiser A Journal International Journal of Mass Spectrometry Pages 225-231 -
2012
Title Formation and Decay of the Dehydrogenated Parent Anion upon Electron Attachment to Dialanine DOI 10.1002/chem.201102433 Type Journal Article Author Gschliesser D Journal Chemistry – A European Journal Pages 4613-4619 Link Publication -
2012
Title On Quantitative Determination of Volatile Organic Compound Concentrations Using Proton Transfer Reaction Time-of-Flight Mass Spectrometry DOI 10.1021/es203985t Type Journal Article Author Cappellin L Journal Environmental Science & Technology Pages 2283-2290 -
2010
Title Photophysics of two Prototypical Molecular-Wire Building Blocks: Solvent-Induced Conformational Dynamics? DOI 10.1002/cphc.200901005 Type Journal Article Author Rosspeintner A Journal ChemPhysChem Pages 1700-1710 -
2010
Title EPR and ENDOR Studies of Dimeric Paracyclophane Radical Cations and Dications Containing Tri- and Pentamethylene-Bridged p-Phenylene Diamine Units DOI 10.1021/jp100348v Type Journal Article Author Rosspeintner A Journal The Journal of Physical Chemistry A Pages 6487-6492 -
2013
Title Fragmentation of Allylmethylsulfide by Chemical Ionization: Dependence on Humidity and Inhibiting Role of Water DOI 10.1021/jp4015806 Type Journal Article Author Maihom T Journal The Journal of Physical Chemistry A Pages 5149-5160 Link Publication -
2013
Title Interfacial Bond-Breaking Electron Transfer in Mixed Water–Ethylene Glycol Solutions: Reorganization Energy and Interplay between Different Solvent Modes DOI 10.1021/jp405097c Type Journal Article Author Ismailova O Journal The Journal of Physical Chemistry B Pages 8793-8801 Link Publication -
2013
Title A spectroscopic and computational study of Al(III) complexes in cryolite melts: Effect of cation nature DOI 10.1016/j.chemphys.2012.11.006 Type Journal Article Author Nazmutdinov R Journal Chemical Physics Pages 22-29 Link Publication -
2013
Title Sulfides: chemical ionization induced fragmentation studied with Proton Transfer Reaction-Mass Spectrometry and density functional calculations DOI 10.1002/jms.3153 Type Journal Article Author Schuhfried E Journal Journal of Mass Spectrometry Pages 367-378 -
2014
Title Modeling the intrusion of molecules into graphite: Origin and shape of the barriers DOI 10.1016/j.ijms.2013.12.015 Type Journal Article Author Huber S Journal International Journal of Mass Spectrometry Pages 248-254 Link Publication -
2011
Title Glycine Peptide Bond Formation Catalyzed by Faujasite DOI 10.1002/cphc.201100047 Type Journal Article Author Phuakkong O Journal ChemPhysChem Pages 2160-2168 -
2011
Title Dissociative electron attachment to carbonyl fluoride, F2CO DOI 10.1016/j.ijms.2011.01.013 Type Journal Article Author Hoshino M Journal International Journal of Mass Spectrometry Pages 125-128 -
2011
Title Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors DOI 10.1039/c0sc00387e Type Journal Article Author Breiten B Journal Chemical Science Pages 88-93 -
2011
Title Structures and reaction mechanisms of glycerol dehydration over H-ZSM-5 zeolite : a density functional theory study DOI 10.1039/c0cp01720e Type Journal Article Author Kongpatpanich K Journal Physical Chemistry Chemical Physics Pages 6462-6470 -
2011
Title Donor-Substituted Diphenylacetylene Derivatives Act as Electron Donors and Acceptors DOI 10.1021/jo2005022 Type Journal Article Author Onitsch C Journal The Journal of Organic Chemistry Pages 5628-5635 -
2013
Title Decorating (C60)n+, n=1–3, with CO2 at low temperatures: Sterically enhanced physisorption DOI 10.1016/j.ijms.2013.06.022 Type Journal Article Author Mauracher A Journal International Journal of Mass Spectrometry Pages 271-274 Link Publication -
2013
Title Evaporation of silicon nanoparticles under scanning tunneling microscope control DOI 10.1016/j.chemphys.2013.08.012 Type Journal Article Author Hager M Journal Chemical Physics Pages 141-147