• Title/Summary/Keyword: Three center two electron bond

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Synthesis and Structural Characterization of Novel Organohydroborate Hafnocene Complex (η5-C5H5)2Hf{(μ-H)2BC8H14)}Cl

  • Chung, Jang-Hoon;Lee, Sang-Mock
    • Bulletin of the Korean Chemical Society
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    • v.27 no.5
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    • pp.759-761
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    • 2006
  • The compound B(C6F5)3 and its variations have been widely employed as alkyl carbanion abstracting reagents to produce metallocene cations for olefin polymerization.1-3 Weakly coordinating anions containing boron can greatly improve the activity of metallocene catalysts used in industrial olefin polymerization4 and thus group IV and V metallocene complexes of the organohydroborate anions have been intensively investigated.5 Recently, many organohydroborate metallocene complexes have been reported by Shore and co-workers.6-8 A common structural feature of those complexes is the three-center two electron M-H-B bond, like that observed in transition metal tetrahydroborate complexes but the reactivity and fluxional behavior of organohydroborate complexes are unlike those of the tetrahydroborate analogues.6 Although many of those metallocenes have been synthesized, few complexes could be used in the olefin polymerization and then this laboratory has been involved in the chemistry of the cyclic organohydroborate anions, and their group IV metallocene derivatives for the catalyst.9 Described here is recent work that led to the preparation of a novel cyclic organohydroborate hafnocene complex (h5-C5H5)2Hf ?(μ-H)2BC8H14 ,Cl. The hafnocene complex contains the three-center two electron bond Hf-H-B10 in which the hydride abstraction for olefin polymerization may occur.

The effect of a desensitizer and $CO_2$ laser irradiation on bond performance between eroded dentin and resin composite

  • Ding, Meng;Shin, Sang-Wan;Kim, Min-Soo;Ryu, Jae-Jun;Lee, Jeong-Yol
    • The Journal of Advanced Prosthodontics
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    • v.6 no.3
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    • pp.165-170
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    • 2014
  • PURPOSE. This study was aimed to evaluate effect of the desensitizing pretreatments on the micro-tensile bond strengths (${\mu}TBS$) to eroded dentin and sound dentin. MATERIALS AND METHODS. Forty-two extracted molars were prepared to form a flat dentin surface, and then they were divided into two groups. Group I was stored in distilled water while group II was subjected to a pH cycling. Each group was then subdivided into three subgroups according to desensitizing pretreatment used: a) pretreatment with desensitizer (Gluma); b) pretreatment with $CO_2$ Laser (Ultra Dream Pluse); c) without any pretreatment. All prepared surfaces were bonded with Single Bond 2 and built up with resin composite (Filtek Z250). The micro-tensile bond test was performed. Fracture modes were evaluated by stereomicroscopy. Pretreated surfaces and bonded interfaces were characterized by scanning electron microscope (SEM). The data obtained was analyzed by two-way ANOVA (${\alpha}$=0.05). RESULTS. For both sound and eroded dentin, samples treated with desensitizer showed the greatest ${\mu}TBS$, followed by samples without any treatment. And samples treated with $CO_2$ laser showed the lowest ${\mu}TBS$. SEM study indicated that teeth with eroded dentin appeared prone to debonding, as demonstrated by existence of large gaps between adhesive layers and dentin. CONCLUSION. Pretreatment with Gluma increased the ${\mu}TBS$ of Single Bond 2 for eroded and sound teeth. $CO_2$ laser irradiation weakened bond performance for sound teeth but had no effect on eroded teeth.

Shear Bonding Strength of Three Cements Luted on Pediatric Zirconia Crowns and Dentin of Primary Teeth (3종 시멘트로 접착한 소아용 기성 지르코니아 전장관과 유치 상아질의 전단결합강도)

  • Lee, Jeongeun;Park, Howon;Lee, Juhyun;Seo, Hyunwoo
    • Journal of the korean academy of Pediatric Dentistry
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    • v.45 no.3
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    • pp.314-323
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    • 2018
  • The aim of this study was to evaluate the shear bond strength of three luting cements and to identify the effect of thermocycling. Zirconia discs were made similar to the inner surface of a preformed pediatric zirconia crown ($NuSmile^{(R)}$ ZR crown: ZRCr). The similarity between the zirconia discs and the inner surface of a ZRCr was confirmed by scanning electron microscope. Three luting cements were $Ketac^{TM}$ Cem Permanent Glass Ionomer Luting Cement (KGI), $RelyX^{TM}$ Luting Plus Cement (RLP), $RelyX^{TM}$ Unicem Self-Adhesive Universal Resin Cement (RUR). Three luting cements were bonded according to the manufacturer's instructions for 60 zirconia discs and 60 dentin of primary teeth. Total of 120 specimens were divided into two subgroups: One was not aged, and the other was tested with 5500 thermocycling. Shear bond strength was measured using a universal testing machine, and the fracture patterns were observed with SEM. On the zirconia discs and the dentin of primary teeth, shear bond strength of RUR was higher than that of KGI and RLP, and there were statistically significant differences by cement type. The shear bond strength differences for RUR were not statistically significant depending on thermocycling.

A STUDY ON THE ADAPTATION OF DENTIN BONDING AGENTS TO TOOTH STRUCTURE (치질에 대한 상아질 접착제의 접합도에 관한 연구)

  • Park, Sung-Taek;Cho, Young-Gon;Hwang, Ho-Keel
    • Restorative Dentistry and Endodontics
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    • v.20 no.2
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    • pp.732-743
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    • 1995
  • The purpose of this study was to evaluate the adaptation of light cured dentin bonding agents to tooth structure by measuring contraction gaps on interfaces between cavity wall and composite resin under SEM study. In this study, class V cavities with cementum margin were prepared on the buccal surfaces of 15 extracted human premolar teeth and teeth were randomly assigned 3 groups of 5 teeth each. The cavities were filled with three dentin bonding agents and two composite resins were investigated for this study: three dentin bonding agents; Scotchbond 2, Scotchbond Multi-Purpose. All-Bond 2, two composite resins; Silux Pius, Z-100. Group 1 : Scotchbond 2 + Silux Plus Group 2 : Scotchbond Multi~Purpose + Z-100 Group 3 : All-Bond 2 + Z-100 The restored teeth were stored in 100% relative humidity at $37^{\circ}C$ for 7 days. And then, the roots of the teeth were removed with the tapered fissure bur and the remaining crowns were sectioned occlusogingivally through the center of restorations. Adaptation at tooth-restoration interface was assesed occlusally, gingivally, and axially by scanning electron microscope. The results were as follows : 1. In Group 1, the adaptation to dentinal wall of Scotchbond 2 was poor, but the adaptation to enamel wall of Scotchbond 2 was excellent. 2. In Group 2, the adaptation to occlusal was axial wall and gingival wall of Scotchbond Multi-Purpose was excellent. Especially in axially wall, the dentin bonding agents infiltrated into dentinal tubules and there was excellent adaptation to dentinal wall. 3. In Group 3, the adaptation to occlusal wall and axial wall of All-Bond 2 was excellent. But in gingival wall, there was gap formation between composite resin and dentin bonding agent.

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The Potential Energy Surface of BH5 and the Rate of the Hydrogen Scrambling

  • Kim, Kyung-Hyun;Kim, Yong-Ho
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.763-770
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    • 2003
  • The $BH_5$ molecule, which is suggested as an intermediate of the acidolysis of $BH_4^-$, contains a weak two-electron-three-center bond and it requires extremely high-level of theories to calculate the energy and structure correctly. The structures and energies of $BH_5$ and the transition state for the hydrogen scrambling have been studied using recently developed multi-coefficient correlated quantum mechanical methods (MCCMs). The dissociation energies and the barrier heights agree very well with the previous results at the CCSD(T)/ TZ(3d1f1g, 2p1d) level. We have also calculated the potential energy curves for the dissociation of $BH_5$ to $BH_3$ and $H_2$. The lower levels of theory were unable to plot correct potential curves, whereas the MCCM methods give very good potential energy curves and requires much less computing resources than the CCSD(T)/ TZ(3d1f1g,2p1d) level. The potential energy of the $BH_5$ scrambling has been obtained by the multiconfiguration molecular mechanics algorithm (MCMM), and the rates are calculated using the variational transition state theory including multidimensional tunneling approximation. The rate constant at 300 K is 2.1 × $10^9s^{-1}$, and tunneling is very important.