Nonlinear optical properties of organic and polymeric materials
29 Sep 1983-
About: The article was published on 1983-09-29 and is currently open access. It has received 762 citations till now.
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TL;DR: In this article, an accurate and computationally tractable theoretical procedure for the calculation of the nonresonant, electronic components of the third-order molecular polarizabilities, γ(0;0,0, 0), γ (−3ω;ω,ω, ρ), and γ((−2ω; ρ,ω 0, 0,0), can be constructed.
Abstract: An accurate and computationally tractable theoretical procedure for the calculation of the nonresonant, electronic components of the third‐order molecular polarizabilities, γ(0;0,0,0), γ(−3ω;ω,ω,ω), and γ(−2ω;ω,ω,0), can be constructed. This procedure partitions γ into a σ‐electron component (γσ) and a π‐electron component (γπ). The γσ term is evaluated using the bond‐additivity approximation; the γπ term is calculated using the semiempirical INDO all‐valence‐electron molecular orbital method combined with full single‐ and double‐excitation configuration interaction (SDCI) of singlet π‐electron configurations, and Orr and Ward’s sum‐over‐states expression for γ. The INDO‐SDCI method is also used to calculate one‐ and two‐photon spectroscopic properties of the 1ππ* states salient to γπ for the molecules of interest. It is shown that single‐excitation CI alone is not sufficient for the calculation of γπ for linear polyenes and benzene. Calculations of the effect of chain length and conformation on the value...
185 citations
IBM1
TL;DR: In this article, thin films for optical second-harmonic generation (SHG) were prepared from a newly designed and synthesized amorphous polymer that incorporated a high density of active nonlinear optical groups (p−nitroaniline as attached side groups).
Abstract: Thin films for optical second‐harmonic generation (SHG) were prepared from a newly designed and synthesized amorphous polymer that incorporated a high density of active nonlinear optical groups (p‐nitroaniline as attached side groups). For alignment of the nonlinear groups a very high electric field was applied by a corona discharge to the polymer films above Tg (125 °C). The subsequent freezing process resulted in a polymer film initially exhibiting a very high second‐order nonlinear coefficient, d33=31 pm/V, measured by the Maker‐fringe technique, plus excellent thermal, mechanical, and optical properties. The dynamics of polar alignment and decay, studied by in situ poling (or depoling) and SHG measurements, indicated a multiple exponential behavior with the average relaxation time somewhat longer than expected from extrapolation of the dielectric relaxations data according to the Williams–Landel–Ferry equation. The frozen‐in SHG behavior at room temperature (∼100 °C below Tg) relaxed after 5 days to a...
174 citations
TL;DR: In this article, three aspects of crystal engineering in molecular crystals are presented to emphasize the role of intermolecular interactions and factors influencing crystal packing and the invariance of the framework in DBT and its possible implications on SHG.
161 citations
TL;DR: In this article, the third harmonic generation (THG) has been performed in reflection from thin polycrystalline films of chloro-gallium and fluoro-aluminum phthalocyanines.
Abstract: Third harmonic generation (THG) has been performed in reflection from thin polycrystalline films of chloro‐gallium and fluoro‐aluminum phthalocyanines By comparison to THG from the 100 surface of silicon, the values of χ(3) are estimated to be 25×10−11 and 5×10−11 esu, respectively The patterns of the molecular and crystal tensors are discussed for the case of multiple resonance enhancements
155 citations
TL;DR: In this paper, the synthesis of chalcone derivative compound was reported and the compound showed second harmonic generation conversion efficiency in powder form, which was shown to be second harmonic conversion efficiency of 1-(4methoxyphenyl)-3-(phenyl)-2-propen-1-one in acetone.
154 citations