A Theoretical Study of Nonlinear Second-Order Optical Properties of Substituted Silanes

On the basis of ZINDO method and according to the sum over states(SOS) expression, the program is devised for the calculation of nonlinear second order optical susceptibilites β ijk and studying how different substituents on the phenyl ring attached to the atom silicon influence on the nonlinear second order optical properties of substituted silane series of molecules. The properties of (CH 3) 3Si? ?has been studied particularly. The effect of the length of silica chains on the calculated values has been studied too. The regularity summarized from the calculated results has been explained micromechanically.

CORROSION RESISTANCE OF HOT DIP GALVANIZED STEEL PRETREATED WITH BIS-FUNCTIONAL SILANES MODIFIED WITH NANOALUMINA

The corrosion behavior of hot dip galvanized steel pretrvated with bis-[triethoxysilylpropyl] tetrasulfide （BTESPT） modified with alumina particles was studied. The corrosion resistance of the passiving films was evaluated by Tafel polarization curve and electrochemical impedance spectroscopy. The films formed on the galvanized steel substrate were characterized by Fourier transform infrared spectroscopy and energy dispersive X-ray spectrometry. The surface morphology of the treated hot dip galvanized steel samples was observed by Field Emission Scanning Electron Microscope. The results show that the pretrvatments on the basis of silane films modified with nanoalumina particles have reduced both anodic and cathodic current densities, and increased total impedance in the measured frequency, consequently, improving corrosion protection for hot dip galvanized steel during immersion in NaCl solutions compared to chromate films and silane films.

Theoretical Study of Photoabsorption Spectra near Si 2p Edges of Silanes： to Determine Orientations of Adsorbed Silanes

In the frame work of quantum defect theory, photoabsorption spectra near Si 219 edges of silane have been studied. When silanes are adsorbed on a physical surface and excited by polarized x-ray photons, relative intensities of the spectra will be different from that of free molecules. Such features can be used to determine orientations of adsorbed silanes based on selection rules.

Surface Modification of Cellulose with Silanes for Adhesive Application: Review

There has been an increasing interest in research on using bio-renewable polymers as a replacement to traditional synthetic polymers based on petroleum resources for adhesive applications. Cellulose, which is the most abundant biopolymer finds application as a reinforcing agent in conventional adhesives. However, natural polymer cellulose suffers from a few drawbacks like poor water resistance, low mechanical strength, and compatibility within the hydrophobic matrix. For emerging as sustainable alternatives for synthetic polymers, cellulose and its derivatives must have comparable physical, chemical, thermal, and mechanical properties to those of synthetic polymers. To achieve this, cellulose has been chemically modified as it has free hydroxyl groups which act as a site for modification. Among various techniques used crosslinking and silane modification have shown better properties. Various silanes have been identified and used for modifying both micro-cellulose and nano-cellulose, by the formation of covalent bonds. Silanes have the ability to react with the low number of free hydroxyl groups present in the cellulose surfaces, therefore promotes surface modification. Hence referring to the increase in the research works related to the silane modification of cellulose and its applicability focusing on wood adhesives, the main aim of this review paper is to summarize various works relating to this field.

Co/Fe Dual Catalysis for Sequential Hydrosilylation-Isomerization:Access to Trisubstituted(E)-Alkenyl Silanes from Terminal Alkynes

By rational modification of electronic and steric properties of pincer ligands,a Co/Fe dual catalyst system is developed for one-pot sequential Markovnikov alkyne hydrosilylation and stereoselective alkene isomerization.The protocol provides an atom-economical and efficient approach to trisubstituted(E)-alkenyl silanes from widely accessible terminal alkynes with high regio-and stereoselectivities under mild conditions.The utility of this reaction was demonstrated by gram-scale synthesis and derivatization of bioactive molecules.The radical clock and trapping experiments indicated that radical pathway might be operative in the alkene isomerization step.

One Earth-Abundant Cobalt Catalyst for Alkynes Double Hydrosilylation:Efficient Synthesis of Gem-bis(silanes)

Geminal bis(silanes) are unique orga no sila ne species containing one sp^3-carbon attached with two silyl groups, which have emerged as attractive synthetic building blocks.[1] In spite of the usefulness, the scarcity of synthetic methods to approach gem-bis(silanes) extremely restricts their potentialities for broader applications.

Metal-free visible-light-mediated aerobic oxidation of silanes to silanols

Oxidation of silanes into silanols using water/air has attracted considerable attention. The known methods with no exception required a metal catalyst. Herein we report the first metal-free method: 2 mol% Rose Bengal as the catalyst, air(O2) as the oxidant, water as the additive and under visible light irradiation. While this method produces various silanols in a simple, costeffective, efficient(92%–99% yields) and scalable fashion, its reaction mechanism is very different than the reported ones associated with metal catalysis.

Theoretical insight into the activity and selectivity in palladium/Ming-Phos-catalyzed three-component asymmetric synthesis of gem-diarylmethine silanes

Recently,a three-component coupling reaction for efficient construction of gem-diarylmethine silanes was developed,utilizing a Pd-Ming-Phos catalyst.To explore the underlying mechanism governing this intriguing reaction,we have conducted comprehensive density functional theory(DFT)computations(M06-L/SDD/6-311++G(d,p)/SMD//B3LYP-D3/lanl2dz/6-31G(d,p)).DFT calculations reveal that the oxidative addition of Ar Br to Pd(0)is the rate-determining step,and the carbenation process of Ph CHN_(2)to Pd(Ⅱ)is the enantioselectivity-determining step.Moreover,the Ming-Phos ligand exhibits a self-adaptive nature,allowing it to dynamically adapt its coordination patterns with the metal center in different elementary steps,thereby enhancing the overall reactivity.The enantioselectivity is determined by both the trans effect and the side-arm effect of the ligand.This mechanism nicely explains why TY-Phos with P-tBu_(2)instead of the Ming-Phos with P-Ph2results in poor reactivity and much reduced enantioselectivity.This study not only provides deeper insights into the functioning principles of Sad Phos ligands but also offers valuable guidance for future ligand modifications and optimizations.

Fabrication of Silane and Desulfurization Ash Composite Modified Polyurethane and Its Interfacial Binding Mechanism

Polyurethane/desulfurization ash(PU/DA)composites were synthesized using"one-pot method",with the incorporation of a silane coupling agent(KH550)as a"molecular bridge"to facilitate the integration of DA as hard segments into the PU molecular chain.The effects of DA content(φ)on the mechanical properties,thermal stability,and hydrophobicity of PU,both before and after the addition of KH550,were thoroughly examined.The results of microscopic mechanism analysis confirmed that KH550 chemically modified the surface of DA,facilitating its incorporation into the polyurethane molecular chain,thereby significantly enhancing the compatibility and dispersion of DA within the PU matrix.When the mass fraction of modified DA(MDA)reached 12%,the mechanical properties,thermal stability,and hydrophobicity of the composites were substantially improved,with the tensile strength reaching 14.9 MPa,and the contact angle measuring 100.6°.

Fabrication and anti-corrosion performance of superhydrophobic silane film on sintered NdFeB

An eco-friendly superhydrophobic protective film(DTMS/TEOS silane film)was fabricated on sintered NdFeB substrate through the utilization of electrochemically assisted deposition technology.The structure,properties,and film-forming mechanism of dodecyltrime-thoxysilane(DTMS)/tetraethoxysilane(TEOS)silane films were comprehensively analyzed using Fourier transform infrared spectroscopy(FT-IR),scanning electron microscopy(SEM),X-ray photoelectron spectroscopy(XPS),potentiodynamic polarization curves and electrochemical impedance spectroscopy(EIS).Based on the test results,it can be determined that this film has a superhydrophobic property with a hydrophobicity angle of 152°.This special property can be attributed to the long alkyl chains in the DTMS molecule,the rough morphology,and the low surface energy of the DTMS/TEOS silane film.The surface of sintered NdFeB is coated with a layered three-dimensional network silane film that forms through the condensation of silanol substances.This film provides excellent corrosion resistance to the sintered NdFeB substrate,reducing its corrosion current density to 2.02×10~(-6)A/cm~2.Moreover,the impact of film on the magnetic characteristics of sintered NdFeB was assessed and found to be minimal.

A"Concentrated lonogel-in-Ceramic"Silanization Composite Electrolyte with Superior Bulk Conductivity and Low Interfacial Resistance for Quasi-Solid-State Li Metal Batteries

The ideal composite electrolyte for the pursued safe and high-energy-density lithium metal batteries(LMBs)is expected to demonstrate peculiarity of superior bulk conductivity,low interfacial resistances,and good compatibility against both Li-metal anode and high-voltage cathode.There is no composite electrolyte to synchronously meet all these requirements yet,and the battery performance is inhibited by the absence of effective electrolyte design.Here we report a unique"concentrated ionogel-in-ceramic"silanization composite electrolyte(SCE)and validate an electrolyte design strategy based on the coupling of high-content silane-conditioning garnet and concentrated ionogel that builds well-percolated Li+transport pathways and tackles the interface issues to respond all the aforementioned requirements.It is revealed that the silane conditioning enables the uniform dispersion of garnet nanoparticles at high content(70 wt%)and forms mixed-lithiophobic-conductive LiF-Li3N solid electrolyte interphase.Notably,the yielding SCE delivers an ultrahigh ionic conductivity of 1.76 X 10^(-3)S cm^(-1)at 25℃,an extremely low Li-metal/electrolyte interfacial area-specific resistance of 13Ωcm^(2),and a distinctly excellent long-term 1200 cycling without any capacity decay in 4.3 V Li‖LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2)(NCM523)quasi-solid-state LMB.This composite electrolyte design strategy can be extended to other quasi-/solid-state LMBs.

Stable operation of highly loaded pure Si-Fe anode under ambient pressure via carboxy silane-directed robust solid electrolyte interphase

Incorporation of higher content Si anode material beyond 5 wt% to Li-ion batteries(LIBs)is challenging,owing to large volume change,swelling,and solid electrolyte interphase(SEI)instability issues.Herein,a strategy of diacetoxydimethylsilane(DAMS)additive-directed SEI stabilization is proposed for a stable operation of Si-0.33FeSi_(2)(named as Si-Fe)anode without graphite,which provides siloxane inorganics and organics enrichment that compensate insufficient passivation of fluoroethylene carbonate(FEC)additive and reduce a dependence on FEC.Unprecedented stable cycling performance of highly loaded(3.5 mA h cm^(-2))pure Si-Fe anode is achieved with 2 wt%DAMS combined with 9 wt%FEC additives under ambient pressure,yielding high capacity 1270 mA h g^(-1)at 0.5 C and significantly improved capacity retention of 81% after 100 cycles,whereas short circuit and rapid capacity fade occur with FEC only additive.DAMS-directed robust SEI layer dramatically suppresses swelling and particles crossover through separator,and therefore prevents short circuit,demonstrating a possible operation of pure Si or Sidominant anodes in the next-generation high-energy-density and safe LIBs.

Synthesis and Charcterization of Silane Crosslinked Hydrogel to pH Sensitive Study

Eco-friendly and biodegradable novel hydrogel were prepared by blending and solution casting method. The designed hydrogel is based on chitosan/ PEG600/Gurgam with carbon nanofiller along silane crosslinked (TEOS) with pH sensitive response to controlled release of drug in biomedical materials and agriculture industry. The various concentration of carbon nanofiller is used to analyze its effect on the fabricated hydrogel characteristics by using FTIR, SEM, TGA, swelling studies (water, buffer and ionic solution). Spectra of FTIR reflected both established and newly developed groups (like hydrogel). COOH group presence is clearly observed in this range in the carbon filler reinforced hydrogel. The SEM micrographs show that CPG0.003 had a collection of polysaccharide chains as thin helices, which is attributed to the increase in the size of porosity. TGA shows to increase concentration of nanofiller enhanced the thermal stability of the designed hydrogels at temperature 25˚C to 550˚C mass loss percentage decrease upto 20% and increase thermal stability. This pH response made these resultant hydrogels as fruitful competitor against the many reported controlled release application.

Influence of silane coupling agent on the conversion film forming of galvanized steel treated with cerium salt

The influence of silane coupling agent on the film forming of galvanized steel treated with cerium salt was studied by scanning electron microscopy （SEM） and X-ray photoelectron spectroscopy （XPS）, and the corrosion resistance of conversion films was analyzed by electro interstitial scanning （EIS）. The results show that silane coupling agent KH-570 has significant influence on the compactness and homogeneity of cerium conversion films, and the process of film forming is promoted by increasing the content of tervalent and tetravalent cerium oxide. The impedance value of the cerium conversion film, especially modified with KH-570, is greater than that of the base metal, which reveals that it is necessary to add silane coupling agent to the film-forming solution in order to improve the corrosion resistance of the conversion film.

Isobaric vapor-liquid equilibrium for methyldichlorosilane- dimethyldichlorosilane-benzene system

The elucidation of vapor-liquid equilibrium (VLE) of the halogenated silane was necessary for the production of silicon derivatives, especially for methylvinyldichlorosilane, due to the lack of the relevant reports. Isobaric VLE for the system methyldichlorosilane-dimethyldichlorosilane-benzene and isobaric VLE of the three binary systems were measured with a new pump-ebulliometer at the pressure of 101.325 kPa. These binary compositions of the equilibrium vapor were calculated according to the Q function of molar excess Gibbs energy by the indirect method and the resulted VLE data agreed well with the thermo-dynamic consistency. Moreover, the experimental data were correlated with the Wilson, NRTL, Margules and van Laar equations by means of the least-squares fit, the acquired optimal interaction parameters were fitted to experimental vapor-liquid equilibrium data for binary systems. The binary parameters of Wilson equation were also used to calculate the bubble point temperature and the vapor phase composition for the ternary mixtures without any additional adjustment. The predicted vapor-liquid equilibrium for the ternary system was in a good agreement with the experimental results. The VLE of binary and multilateral systems provided essential theory for the production of the halogenated silane.

The Effect of Silane Grafted Polypropylente on the Property of Different Filler/Polypropylene Composites

Aim To determine the effect of silane grafted polypropylene on the property of different filler/polypropylene composites. Methods Polypropylene (PP) composites filled with talc(Ta), baryta sulfate and calcium carbonate coupled with silane grafted polypropylene (PP-g-Si) were made, their mechanical properties and thermal properties were investigated, respectively. Results As compared with the non-coupled composites, the mechanical properties of PP/Ta/PP-g-Si composites were improved to some extent, though the values of tensile modulus and the strain at peak were decreased. But for PP/BaSO4 and PP/CaCO3 composites, the values of their mechanical properties varied slightly or even decreased with increasing PP-g-Si content within the experimental component. Meanwhile, PP-g-Si also affected the melting and crystallization behavior of PP in the composites. Conclusion PP-g-Si offers compatibilization in PP/Ta composites, but offers no-compatibilization in PP/BaSO4 and PP/CaCO3 composites within the extent of the present range of PP-g-Si, which shows that PP-g-Si can be used as the macromolecular coupling agent of PP and Ta composite.

Alginate-Coated Fe3O4 Hollow Microspheres for Drug Delivery

Novel hollow Fe3O4 nanoparticles for drug delivery were synthesized via a one-step template- free approach. These nanoparticles were obtained by modifing the Fe3O4 nanoparticles with 3-aminopropyltrimethoxy silane, and then grafting alginate onto the surface of amine magnetic. The hollow structure of Fe3O4 spheres was characterized by TEM, XRD, and XPS. The M-H hysteresis loop indicated that the magnetic spheres exhibit snperparamagnetic characteristics at room temperature. Daunorubicin acting as a model drug was loaded into the carrier, and the maximum percent of envelop and load were 28.4% and 14.2% respectively. The drug controlled releasing behaviors of the carriers were compared in different pH media.

Silane Terminated Prepolymers: An Alternative to Silicones and Polyurethanes

Silane terminated prepolymers for adhesives, sealants and coatings are of great industrial importance. They are very important because of their low toxicity over polyurethanes, silicones, and solvent-based products. Hence, many pieces of literature which deal with the synthesis, properties and applications of this Silane terminated polymers hybrid system exist. Silylated polyether (MS polymers) and Silylated Polyurethane Polymers (SPUR) are the bases for numerous sealants, adhesives and coatings used worldwide. A hybrid system mixed with organic-polyurethane proportion and inorganic-alkoxysilane proportion combines the benefits of conventional polyurethane and silicone-based products. This article reviews the chemistry of MS polymers and SPUR and their advantages and disadvantages in silyl terminated prepolymer-based adhesives, sealants and coatings as well as provides information on different end applications.

Rare earth and silane as chromate replacers for corrosion protection on galvanized steel

The present work aimed at using rare earth lanthanum salt and trimethoxy（viny）silance as chromate substitutes for galvanized steel passivation, in contrast to zinc coating samples treated with chromate.The corrosion resistance was assessed by electrochemical impedance spectroscopy（EIS） and neutral salt spray tests（NSS）.Scanning electron microscopy（SEM） was used to characterize the sample surfaces.The organic coating adhesion on the panel was also investigated via varnishes-cross cut tests.The results indicated that rare earth and silane two-step treatment gave more effective anticorrosion performance than Cr, which also provided good paint adhesion.The coating formation mechanism was also discussed.

Study on corrosion resistance of the BTESPT silane cooperating with rare earth cerium on the surface of aluminum-tube

Bis-3-(triethoxysilyl)propyltetrasulfide(BTESPT) silane-rare earth cerium composite coatings on aluminum-tube were prepared at 60 °C by immersion method.The performance of composite coatings to protect the aluminum-tube against corrosion was investigated with potentiodynamic polarization curves,electrochemical impedance spectroscopy(EIS),and salt spray test(SST).The results of potentiodynamic polarization curves and EIS indicated that the self-corrosion current decreased by two orders of magnitude and the i...