| Na2MoO4·2H2O晶体及其熔体结构的温致拉曼光谱 |
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| 引用本文： | 丁雅妮,尤静林,王敏,LU Liming,王建,曹培明,徐琰东.Na2MoO4·2H2O晶体及其熔体结构的温致拉曼光谱[J].无机化学学报,2019,35(5):803-811. |
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| 作者姓名： | 丁雅妮 尤静林 王敏 LU Liming 王建 曹培明 徐琰东 |
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| 作者单位： | 上海大学材料科学与工程学院省部共建高品质特殊钢冶金与制备国家重点实验室上海市钢铁冶金新技术开发应用重点实验室;CSIRO |
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| 基金项目： | 国家自然科学基金（No.21773152），111引智项目（No.D17002），上海市科学技术委员会项目（No.12520709200），省部共建高品质特殊钢冶金与制备国家重点实验室开放课题（No.SKLASS2015-01，SKLASS2017-02），省部共建高品质特殊钢冶金与制备国家重点实验室自主课题（No.SKLASS2016-Z01），科技部中央引导基金资助项目（No.YDZX20173100001316）资助 |
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| 摘 要： | 利用原位高温拉曼光谱技术对Na_2MoO_4·2H_2O(NMHO)晶体的脱水、相变以及熔融过程中微结构变化和分子振动特性进行了研究。结果显示在363 K,正交NMHO晶体脱水形成对称性更高的立方α-NMO(Na_2MoO_4)晶体;随着温度升高至熔点,α-NMO晶体经历了如下相变:α→β→γ→δ,分析了相变过程中温度对孤立的MoO_4]_(2-)中Mo-O键的对称伸缩振动波数的作用,进而获得其平均键长以及对称性的变化过程;结合密度泛函理论对已知晶型的NMHO,α-NMO及γ-NMO晶体进行了拉曼光谱的计算模拟,并对其振动模式进行了归属;采用量子化学从头计算方法研究了NMO熔体中MoO_4]~(2-)的团簇类型。
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| 关 键 词： | Na2MoO4· 2H2O 原位高温拉曼光谱 熔体结构 |
| 收稿时间： | 2018/11/25 0:00:00 |
| 修稿时间： | 2019/1/25 0:00:00 |
Temperature Dependent Raman Spectra of Na2MoO4·2H2O Crystal and Its Melt Structure |
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| DING Ya-Ni,YOU Jing-Lin,WANG Min,LU Liming,WANG Jian,CAO Pei-Ming and XU Yan-Dong.Temperature Dependent Raman Spectra of Na2MoO4·2H2O Crystal and Its Melt Structure[J].Chinese Journal of Inorganic Chemistry,2019,35(5):803-811. |
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| Authors: | DING Ya-Ni YOU Jing-Lin WANG Min LU Liming WANG Jian CAO Pei-Ming and XU Yan-Dong |
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| Institution: | State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China,State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China,State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China,CSIRO Mineral Resources, Technology Court, Pullenvale, Queensland 4069, Australia,State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China,State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China and State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China |
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| Abstract: | |
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| Keywords: | Na2MoO4· 2H2O in-situ high temperature Raman spectroscopy melt structure |
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