TL;DR: An all-atom force field for computer simulation of polysilanes, including their alkyl and phenyl side chain derivatives, is developed based on ab initio calculations and liquid-state simulations of simple silane molecules as discussed by the authors.
Abstract: An all-atom force field for computer simulation of polysilanes, including their alkyl and phenyl side-chain derivatives, is developed based on ab initio calculations and liquid-state simulations of simple silane molecules. Validation of the force field shows good agreement with experimental data of isolated and condensed silanes and polysilanes. Conformational structures and energies of polysilane and poly(dimethylsilane) were studied based on ab initio calculations and the force field developed. It is found that the all-trans backbone of isolated polysilane is more stable than the gauche. Poly(dimethylsilane) has a helical backbone in the gas phase but is all-trans in the crystal due to the interchain nonbonded interaction
TL;DR: In this paper, it was argued that the large value of χ(3) is due to a three-photon resonance at 1.064 μm, and the measured average value of cubic susceptibility is equal to (1.5±0.1)×10−12 esu at 1.064 µm.
Abstract: Optical third harmonic generation measurements by transmission have been performed on thin films of polysilane deposited by a spinning technique with a thickness varying between 0.15 and 0.45 μm. The films have a good optical quality and support large laser power (∼200 MW/cm2 at 1.064 μm). They are transparent in visible and near infrared. The measured average value of cubic susceptibility 〈χ(3)xxxx (−3ω; ω,ω,ω)〉 is equal to (1.5±0.1)×10−12 esu at 1.064 μm. The technique used for the third harmonic generation measurements allows determination of both modulus and phase of χ(3). It is argued that the large value of χ(3) is due to a three‐photon resonance at 1.064 μm.
TL;DR: Silicon-Containing Polysiloxane is my favorite element in Organosilicon Chemistry as mentioned in this paper, and it has been shown to have properties similar to those of polysilicon-containing polyethylene.
Abstract: Introduction: My Favorite Element Organosilicon Chemistry: A Brief Overview Silicon-Containing Polymers Formation of Linear Siloxane Polymers Thermal and Rheological Properties of Alkyl-Substituted Polysiloxanes Pyrid- and 1-Oxypridinyl-Substituted Silanes and Siloxanes New Catalysts for Interfacial Transacylation Reactions Polysiloxane-Based Polymer-Electrolyte Complexes Conformational Analysis of Substituted Polysiloxane Polymers Synthesis and Fractionation Studies of Functionalized Organosiloxanes Novel Poly(imide-siloxane) Polymers and Copolymers Polysiloxane-Thermoplastic Interpenetrating Polymer Networks Non-Gaussian Effects and Intermolecular Correlations in Bimodal Networks of Poly(dimethyisiloxane) New Inorganic-Organic Hybrid Materials Through the Sol-Gel Approach Structure and Growth of Silica Condensation Polymers Hydrolysis and Condensation Kinetics of Dimeric Sol-Gel Species by ^2]9Si NMR Spectroscopy A Silicate Substitution Route to Organosilicon Compounds Organosilicon Polymers for Microlithographic Applications Modifications of Well-Defined Polysilanes Mechanistic Studies of Polysilane Polymerization Polymers and Copolymers of Disilacyclohexadiene: A Non-Alkali-Metal Route to Polysilanes Transition-Metal-Substituted Oligo- and Polysilanes Structures, Phase Transitions, and Morophology of Polysilylenes Order-Disorder Transitions and Thermochromism of Polysilylenes in Solution: Theory and Experiment Configurational Properties of a Stiff-Chain Diaryl-Substituted Polysilane in Dilute Solution Radiation Sensitivity of Soluble Polysilane Derivatives Exciton-Exciton Annihilation in Polysilanes Electronic Transport in Polysilylenes Synthesis and Properties of Silicon-Branched Organosilicon Polymers Electronic Structures of Silicon-Based Polymers Band Structure and Optical Absorption Properties of Polysilane Chains Ground States and Ionization Energies of Polysilane Oligomers Synthesis of Some Organosilicon Polymers and Their Pyrolytic Conversion to Ceramics Polymeric Routes to Silicon Carbide and Silicon Nitride Fibers New Polymer Precursors for Silicon Nitride Oxidation Reaction of Polycarbosilane Synthesis and Properties of Silicon-Containing Polyacetylenes Brominated Poly(1-trimethylsilyl-1-propyne): Lithography and Photochemistry Stereoregular Anionic Ring-Opening Polymerization of Silacyclopent-3-enes Stereoregular 1,4 Polymerization of 2-Triethylsilyl-1,3-butadiene Synthesis and Lithographic Evaluation of a Poly(acylsilane) Siloxane Surface Activity Synthesis, Properties, and Potential Applications of Silphenylene-Siloxane Polymers Future Directions for Silicon-Based Polymers
TL;DR: Experimental results indicate that the holes are generated when excitons, formed when a photon is absorbed, diffuse to the surface of the film, and help confirm the existence of extensive conjugation among sigma bonds in polysilanes.
Abstract: Polysilanes, even those containing no ..pi.. electrons, are found to be excellent photoconductors. In the materials studied to date, only holes are mobile but they have a well-defined mobility of about 10/sup -4/ cm/sup 2//VXat room temperature. In poly(phenylmethylsilane), the material we have studied most intensely, the hole-generation quantum efficiency is about 1% at high electric fields and the experimental results indicate that the holes are generated when excitons, formed when a photon is absorbed, diffuse to the surface of the film. The exciton diffusion length is found to be 500 A. These results help confirm the existence of extensive conjugation among sigma bonds in polysilanes.