28 September 2007Structure-property relationship in organometallic compounds regarding SHG
Jürgen Heck, Marc H. Prosenc, Timo Meyer-Friedrichsen, Jan Holtmann, Edyta Walczuk, Markus Dede, Tony Farrell, Anthony R. Manning, Hans-Georg Kuball, Graziano Archetti, Yan-Hua Wang, Kai Liu, Yi Luo
Jürgen Heck,1 Marc H. Prosenc,1 Timo Meyer-Friedrichsen,1 Jan Holtmann,1 Edyta Walczuk,1 Markus Dede,1 Tony Farrell,2 Anthony R. Manning,2 Hans-Georg Kuball,3 Graziano Archetti,3 Yan-Hua Wang,4 Kai Liu,4 Yi Luo4
1Univ. of Hamburg (Germany) 2Univ. College Dublin (Ireland) 3Univ. of Kaiserslautern (Germany) 4Royal Institute of Technology (Sweden)
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Structure-property relationships based on experimental as well as theoretical results will be elucidated. For this purpose
different dipolar organometallic compounds were synthesized and characterized.
The alteration of the donor and acceptor termini in mono- and dinuclear sesquifulvalene complexes results in
spectroscopic and even structural modifications. The structural and 1H NMR spectroscopic changes correlate with the
experimentally obtained first hyperpolarizability.
The potent electron-donating (D) group [(CpFeCO)2(μ-CO)(μ-C=CH-)] is combined with different electron-accepting
units (A), yielding the push-pull complexes [(CpFeCO)2(μCO)(μ-C=CH-CH=A)]. The extent of electron delocalization
within the π-bridge connecting the donor D and the acceptor A can be monitored by means of 1H NMR spectroscopy. A
correlation between the 3J(Hβ-Hγ) coupling constants and the first hyperpolarizability is found, which very much
resembles the dependence of the first hyperpolarizability on the bond length alternation.
In order to elucidate the dependence of the NLO response on the conformation of triply branched NLOphores, a new
series of dendritic D-μ-A structures has been synthesized. A combined approach of experiments and computational
predictions was applied both on the dendrimers and on the corresponding single-strand chromophores. These results
demonstrate that theoretical calculations are able to reproduce experimental results and show the tendency of the effects
due to structural changes
Jürgen Heck,Marc H. Prosenc,Timo Meyer-Friedrichsen,Jan Holtmann,Edyta Walczuk,Markus Dede,Tony Farrell,Anthony R. Manning,Hans-Georg Kuball,Graziano Archetti,Yan-Hua Wang,Kai Liu, andYi Luo
"Structure-property relationship in organometallic compounds regarding SHG", Proc. SPIE 6653, Linear and Nonlinear Optics of Organic Materials VII, 66530R (28 September 2007); https://doi.org/10.1117/12.736166
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Jürgen Heck, Marc H. Prosenc, Timo Meyer-Friedrichsen, Jan Holtmann, Edyta Walczuk, Markus Dede, Tony Farrell, Anthony R. Manning, Hans-Georg Kuball, Graziano Archetti, Yan-Hua Wang, Kai Liu, Yi Luo, "Structure-property relationship in organometallic compounds regarding SHG," Proc. SPIE 6653, Linear and Nonlinear Optics of Organic Materials VII, 66530R (28 September 2007); https://doi.org/10.1117/12.736166