Results 51 to 60 of about 778 (181)
First-Principles Geometry Optimization of Polysilane
, 1988 A first-principles approach is reviewed for calculating the total energy of chain polymers using a linear combination of atomic orbitals local-density functional approach.
John W. Mintmire
core +1 more source
Chemistry – A European Journal, Volume 31, Issue 11, February 20, 2025.Aminoboranes (R2N=BH2; R = Me, Et) accept hydrogen from phosphine borane adducts (PhR′PH ⋅ BH3; R′ = H, Ph). This transfer is proposed to occur via a 6‐membered transition state. Further, the reaction is driven forward by the reactivity of the product phosphinoborane, which undergoes subsequent addition polymerization or dimerization.
Matthew A. Wiebe +2 more
wiley +1 more source
Synthesis and Crystal Structure of a Nanometer-Scale Dendritic Polysilane
, 2016 A triply convergent synthesis has produced a dendritic polysilane with 13 silicons in the longest chain: [(Me3Si)3SiSiMe2SiMe2Si(SiMe3)2SiMe2]3SiMe. The structure was proved by assignment of each 1H, 13C, and 29Si resonance and by solution of the X-ray ...
Hongwei Wu (1234719) +1 more
core +2 more sources
Cryogenic growth of polysilane.
SHINKU, 1989 Polysilane like films with an optical bandgap of more than 3.0 eV have been prepared on a cooled substrate held at about -100°C by the rf glow discharge decomposition of 3% SiH4 diluted with H2. The infrared absorption spectra indicate that a number of SiH3 units and polysilane (SiH2)n chains are incorporated in the matrix. Predominant incorporation of
HIROSE, Masataka +2 more
openaire +2 more sources
Polaronic transport in polysilanes
Journal of Physics: Conference Series, 2009 Analytical theory based on the effective medium approach is used to explain electric field dependences of charge carrier mobility in poly[methyl(phenyl)silylene]. It is shown that the charge transport can be described by a small polaron movement in the presence of correlated energetic disorder.
S Nešpůrek +3 more
openaire +1 more source
Solid‐Acid Catalyzed Continuous‐Flow Aminolysis of Epoxides
Chemistry – A European Journal, Volume 30, Issue 70, December 13, 2024.Aminolysis of epoxides is a promising way to construct C−N bonds without producing any byproduct. In this article, it was revealed that titania‐zirconia supported molybdenum oxide as a solid acid catalyst could accelerate the reaction, and be applied for continuous‐flow systems with high efficiency.
Ken Nishizawa +2 more
wiley +1 more source
Vibrational and electronic second hyperpolarizabilities of all-trans polysilane chains
, 1998 The vibrational (γL v) and electronic (γL e) longitudinal second hyperpolarizabilities of increasingly large polysilane chains are determined at the Hartree-Fock 6-31G level by adopting both the double harmonic oscillator approximation and the infinite ...
André, Jean-Marie +5 more
core +1 more source
Tiny Windows in Reticular Nanomaterials for Molecular Sieving Gas Separation Membranes
Advanced Functional Materials, Volume 34, Issue 43, October 22, 2024.Tackling separation of gases in continuous membrane processes requires highly engineered reticular molecular sieves. This perspective takes a glance through the tiny windows in metal‐organic frameworks, covalent organic frameworks, hydrogen‐bonded frameworks, metal‐organic polyhedra, and metal‐organic cages, showing sieving strategies and proposing ...
Oksana Smirnova +5 more
wiley +1 more source
Fluoroalkylated Polysilane Film as a Chemosensor for Explosive Nitroaromatic Compounds
, 2016 The present paper reports a new type of polymer-based chemosensor made of stiff fluoroalkylated polysilane, poly(3,3,3-trifluoropropylmethylsilane) (1), which showed a remarkable sensitivity for explosive nitroaromatic compounds (NACs), such as 2,4,6 ...
Anubhav Saxena (2685214) +3 more
core +1 more source
, 2016 Helical Polymer Command Surface: Thermodriven Chiroptical Transfer and Amplification in Binary Polysilane Film ...
Masanobu Naito (1281168) +6 more
core +1 more source