Bond dissociation energy values in silicon-containing compounds and some of their implications

Walsh, Robin

doi:10.1021/ar00068a004

Cited by 829 publications

(453 citation statements)

References 38 publications

(4 reference statements)

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“…Moreover, comparing ceramics grafted by silanes possessing the same length of alkyl chains, higher CA value was found for C8Cl3 than for C8OEt3. This observation is related to the bond dissociation energy which is equal to 489.5 kJ mol −1 and 510.5 kJ mol −1 for Si-Cl and Si-OEt, respectively [60]. Similar relation was found for ceramic powders (TiO 2 and ZrO 2 ) modified by non-fluorinated compounds possessing various reactive groups (e.g., methoxy, ethoxy, and chlorine atoms) [44].…”

Section: Effectiveness Of Membrane Hydrophobizationsupporting

confidence: 67%

“…This observation can be explain by a higher effectiveness of grafting comparing molecules with reactive groups of chlorine atoms and ethoxyl groups. As mentioned above, molecules with chlorine atoms are characterized by the highest ability to generate covalent bonds due to the lower value of energy bonds [60]. The membrane material as well as time of modification process affected the transport properties.…”

Section: Air-gap Membrane Distillation-separation Efficiency Of Modifmentioning

confidence: 99%

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Hydrophobic Ceramic Membranes for Water Desalination

et al. 2017

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Hydrophilic ceramic membranes (tubular and planar) made of TiO 2 and Al 2 O 3 were efficiently modified with non-fluorinated hydrophobic grafting molecules. As a result of condensation reaction between hydroxyl groups on the membrane and reactive groups of modifiers, the hydrophobic surfaces were obtained. Ceramic materials were chemically modified using three various non-fluorinated grafting agents. In the present work, the influence of grafting time and type of grafting molecule on the modification efficiency was evaluated. The changes of physicochemical properties of obtained hydrophobic surfaces were determined by measuring the contact angle (CA), roughness (RMS), and surface free energy (SFE). The modified surfaces were characterized by contact angle in the range of 111-132 • . Moreover, hydrophobic tubular membranes were utilized in air-gap membrane distillation to desalination of sodium chloride aqueous solutions. The observed permeate fluxes were in the range of 0.7-4.8 kg·m −2 ·h −1 for tests with pure water. The values of permeate fluxes for membranes in contact with NaCl solutions were smaller, within the range of 0.4-2.8 kg·m −2 ·h −1 . The retention of NaCl in AGMD process using hydrophobized ceramic membranes was close to unity for all investigated membranes.

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Section: Effectiveness Of Membrane Hydrophobizationsupporting

confidence: 67%

Section: Air-gap Membrane Distillation-separation Efficiency Of Modifmentioning

confidence: 99%

Hydrophobic Ceramic Membranes for Water Desalination

et al. 2017

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“…However, it would be naïve to perceive that alcohol would then proceed to etch the surface as in HF treatment. In the typical HF reaction to the surface, the Si-F bond energy is ~160 kcal mol −1 while the Si-O bond energy is 111 kcal mol −1 [31]. The electron pull from the Si-F forming to the surface is strong enough to result in the breakage of the subsequent Si-Si backbond and this ultimately results in the liberation of a single SiF4 from the silicon bulk material, hence creating the etching event.…”

Section: Resultsmentioning

confidence: 99%

Influences of Doping and Crystal Orientation on Surface Roughening upon Alcohol Grafting onto Silicon Hydride

Tung

Khung

2017

Applied Sciences

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An alcohol bearing alkyne was thermally grafted to both p-type and n-type silicon (111) and (100) substrate of comparable doping levels and surface flatness. The surface topography as well as the surface chemistry was examined via atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and water contact angle measurements. P-type silicon (111) was observed to experience roughening on the surface upon functionalization while n-type silicon (111) surfaces remained relatively unchanged. When the alcohol was grafted onto silicon (100) surface, the roughening effect was found to be even more profound for the p-type while the effects were marginal for the n-type surfaces. Both roughening effects were attributed to the differential weakening of the Si-Si backbond induced by majority carriers in p-and n-type silicon while (111) was observed to be able to resist the roughening effect better and this was explained by the notion of its denser adatom surface packing as well as the presence of surface defects.

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“…Work on these two states includes the determination of ⌳-doubling transition frequencies for X 2 ⌸, 38,63,65,76 radiative lifetimes and oscillator strengths of the A 2 ⌬ϪX 2 ⌸ system, 43,45,47,61,64,74 various molecular constants, 55,56,67,72,78,79,84 transition moments, 66 ionization potentials, 55,80,81 and dissociation energies and enthalpies of formation. 55,59,64,68,80,81,83 To our knowledge, only a limited number of experimental papers deal with the higher excited states, but the extracted parameters useful to the present theoretical work are very few, limited mostly to term values. These papers include the work of Verma, 55 Herzberg et al, 60 Bollmark et al, 62 and Johnson and Hudgens.…”

Section: Introductionmentioning

confidence: 99%

An accurate description of the ground and excited states of SiH

Καλέμος

Mavridis

Metropoulos

2002

The Journal of Chemical Physics

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The astrophysical importance of the SiH radical has motivated significant experimental and theoretical work. However, only the X 2 ⌸ and A 2 ⌬ states of SiH have been extensively investigated experimentally, while the study of higher excited states is rather limited. From a theoretical point of view, most of the studies have been focused on spectroscopic and thermochemical quantities of the ground state. The lack of accurate spectroscopic parameters (r e ,D e , e , e x e ,␣ e ,D e ,T e ) pertaining to higher excited states was the driving force of the present work, in line with our previous study of the isovalent CH molecule ͓A. Kalemos, A. Mavridis, and A. Metropoulos, J. Chem. Phys. 111, 9536 ͑1999͔͒. Using the multireference configuration interaction approach coupled with very large correlation-consistent basis sets, we have constructed potential energy curves for 18 molecular states correlating to Si( 3 P,At the same level, the potential energy curve of the ground SiH ϩ state (X 1 ⌺ ϩ ) has also been constructed. We report total energies, dissociation energies, and the usual spectroscopic constants for 28 2 H and for all states studied. Most of our results are in excellent agreement with existing experimental values. In particular, we believe that our dissociation energy for the X state, D e ϭ73.28 kcal/mol, is the most reliable reported so far in the literature.

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Bond dissociation energy values in silicon-containing compounds and some of their implications

Cited by 829 publications

References 38 publications

Hydrophobic Ceramic Membranes for Water Desalination

Hydrophobic Ceramic Membranes for Water Desalination

Influences of Doping and Crystal Orientation on Surface Roughening upon Alcohol Grafting onto Silicon Hydride

An accurate description of the ground and excited states of SiH

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