Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations

The molecular and supramolecular origins of the superior nonlinear optical (NLO) properties observed in the organic phenolic triene material, OH1 (2-(3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile), are presented. The molecular charge-transfer distribution is topographically mapp...

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Veröffentlicht in:	Journal of physical chemistry. C 2013-05, Vol.117 (18), p.9416-9430
Hauptverfasser:	Lin, Tze-Chia, Cole, Jacqueline M, Higginbotham, Andrew P, Edwards, Alison J, Piltz, Ross O, Pérez-Moreno, Javier, Seo, Ji-Youn, Lee, Seung-Chul, Clays, Koen, Kwon, O-Pil
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Fundamental areas of phenomenology (including applications) Nonlinear optics Optics Organic compounds Physics Structure of solids and liquids crystallography Structure of specific crystalline solids Thermal expansion thermomechanical effects and density Thermal properties of condensed matter Thermal properties of crystalline solids
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