本文選題：氧化鋯　切入點(diǎn)：磷酸酯單體　出處：《南京醫(yī)科大學(xué)學(xué)報(bào)(自然科學(xué)版)》2017年06期 　論文類(lèi)型：期刊論文

【摘要】：目的:分析磷酸酯單體10-甲基丙烯酰氧癸二氫磷酸酯(10-methacryloxy decyldihydrogen phosphate,MDP)與氧化釔穩(wěn)定四方相氧化鋯陶瓷塊(Yttria-stabilized tetragonal zirconia polycrystals,Y-TZP)之間可能發(fā)生的化學(xué)反應(yīng)。方法:采用傅里葉轉(zhuǎn)換紅外光譜分析(Fourier transform infrared spectroscopy,FTIR)研究MDP與Y-TZP接觸后的化學(xué)鍵特征峰的變化。利用密度泛函理論方法,對(duì)MDP和MDP/四方相氧化鋯晶體進(jìn)行幾何結(jié)構(gòu)優(yōu)化和紅外光譜計(jì)算,得到穩(wěn)定結(jié)構(gòu)及振動(dòng)模式,與FTIR結(jié)果進(jìn)行對(duì)比。結(jié)果:FTIR結(jié)果與量子化學(xué)方法模擬的紅外光譜結(jié)果均發(fā)現(xiàn),MDP接觸氧化鋯后MDP分子中的P—O鍵發(fā)生變化,且都向著波數(shù)降低的方向移動(dòng)。結(jié)論:MDP與Y-TZP之間發(fā)生的化學(xué)反應(yīng)是基于MDP分子的PO32-基團(tuán)的作用。
[Abstract]:Objective: to analyze the possible chemical reactions between 10-methacryloxy decyldihydrogen phosphate phosphate monomers and yttria-stabilized tetragonal zirconia polycrystalline Y-TZPs. Methods: Fourier transform infrared light (FTIR) was used to analyze the chemical reactions between the phosphate monomers 10-methacryloxy decyldihydrogen phosphate phosphate monomers and yttria-stabilized tetragonal zirconia polycrystalline Y-TZPs. Spectral analysis of Fourier transform infrared spectroscopy (FTIR) is used to study the change of chemical bond characteristic peaks after MDP contact with Y-TZP. Density functional theory (DFT) method is used to study the change of chemical bond characteristic peaks after contact with Y-TZP. The geometrical structure of MDP and MDP/ tetragonal phase zirconia crystals were optimized and the infrared spectra were calculated. The stable structure and vibration mode were obtained. Results compared with the results of FTIR, it was found that the P-O bond in MDP molecule changed after contact with MDP by quantum chemical method and the results of IR spectra simulated by quantum chemistry method showed that the P-O bond in MDP molecule changed after contact with Zirconia. Conclusion the chemical reaction between MDP and Y-TZP is based on the action of PO32- group of MDP molecule.
【作者單位】： 南京醫(yī)科大學(xué)附屬口腔醫(yī)院修復(fù)科;南京醫(yī)科大學(xué)附屬口腔醫(yī)院口腔疾病研究江蘇省重點(diǎn)實(shí)驗(yàn)室;南京醫(yī)科大學(xué)附屬口腔醫(yī)院牙體牙髓科;
【基金】：國(guó)家自然科學(xué)基金(81400539) 江蘇高校優(yōu)勢(shì)學(xué)科建設(shè)工程資助項(xiàng)目(2014-37) 江蘇省自然科學(xué)基金(BK20150998,BK20140913) 江蘇省高校自然科學(xué)基金(15KJB320003)
【分類(lèi)號(hào)】：R783.1
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本文編號(hào)：1643614