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Proceedings Paper

Structure-property relationship in organometallic compounds regarding SHG
Author(s): 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
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Paper Abstract

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

Paper Details

Date Published: 28 September 2007
PDF: 19 pages
Proc. SPIE 6653, Linear and Nonlinear Optics of Organic Materials VII, 66530R (28 September 2007); doi: 10.1117/12.736166
Show Author Affiliations
Jürgen Heck, Univ. of Hamburg (Germany)
Marc H. Prosenc, Univ. of Hamburg (Germany)
Timo Meyer-Friedrichsen, Univ. of Hamburg (Germany)
Jan Holtmann, Univ. of Hamburg (Germany)
Edyta Walczuk, Univ. of Hamburg (Germany)
Markus Dede, Univ. of Hamburg (Germany)
Tony Farrell, Univ. College Dublin (Ireland)
Anthony R. Manning, Univ. College Dublin (Ireland)
Hans-Georg Kuball, Univ. of Kaiserslautern (Germany)
Graziano Archetti, Univ. of Kaiserslautern (Germany)
Yan-Hua Wang, Royal Institute of Technology (Sweden)
Kai Liu, Royal Institute of Technology (Sweden)
Yi Luo, Royal Institute of Technology (Sweden)

Published in SPIE Proceedings Vol. 6653:
Linear and Nonlinear Optics of Organic Materials VII
Jean-Michel Nunzi, Editor(s)

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