Simulation of polysilane and polysilyne formation and structure

Abstract

We present Monte Carlo simulations of the formation and structure of polysilane, hybrid polysilane/polysilyne and polysilyne networks. The simulation technique allows for the investigation of large networks, containing up to 1000 silicon atoms. Our results show that ring formation is an important factor for all three types of materials. For polysilyne networks, a random structure is found incorporating cyclic substructures, linear chains and branching points.Comment: 8 pages, 11 figure

Synthesis and Characterization of Fluorescent Polymer−Metal Nanocomposites Comprising Poly(silylene-co-silyne)s and Silver Nanoparticles

“…Despite these developments, potential applications of higher dimensional silicon catenates such as polysilynes, − [RSi] n as well as poly(silylene- co -silyne)s, , [(R 2 Si) x - co -(RSi) 1- x ] n (also known as network and branched polysilanes respectively) in the synthetic domain of noble metal nanoparticles/clusters have not been explored so far. A detailed understanding of this aspect is desired in view of available information on the electronic properties of these polymers which differ appreciably from those of linear polysilanes.…”

Linear, branched and network polysilanes with thienyl/furyl substituted sila-alkyl side chains and their applications for the synthesis of fluorescent silver nanoparticles/clusters

“…Earlier work on branched polysilanes 4,5 have shown that linear and branched units of these polymers more or less behave as separate chromophores and exhibit distinct photophysical properties with characteristic emission bands being observed at ∼ 350-360 and ∼ 450 nm, respectively. On the other hand, network polysilanes are associated with both direct and indirect band gaps of the order of 2-3 eV which are nearly degenerate and electronic properties can be tailored through surface chemical derivatization [6][7][8][9][10][11] . These are generally considered as soluble models of amorphous silicon and best * For correspondence represented as two-dimensional sheet-like structures comprising of linear, branched and cyclic components.…”

Scope of network polysilanes in the synthesis of fluorescent silver and gold nanoparticles/nanoclusters‐modulations of their optical properties in the presence of Hg(II) ions

“…The formation of AgNCs in conjunction with AgNPs in these nanocomposites has been substantiated by their fluorescent characteristics in green light region. Our continued interest in silicon‐based polymers and their applications in the synthetic domain of metal nanoparticles12–14 has prompted us to undertake a systematic study on network polysilanes (polysilyne) frameworks, [RSi] n (R = alkyl or aryl) which are known to possess two dimensional sheet‐like structures comprising of linear, branched, and cyclic components and are associated with both direct and indirect band gaps of the order of 2–3 eV 31–38. Herein we describe the synthesis of polysilynes [RMe 2 SiCH 2 CH 2 Si] n [R = Ph ( 1 ), 2‐Furyl ( 2) ] and their reactivity studies toward Ag(I) and Au(III) ions.…”