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本文利用6-31G*基组的分子轨道理论从头计算法对[BO_3],[BO_4],[OB_2]等三个硼氧多面体进行平衡几何构型和振动光谱频率的计算,并与早先的6-31G结果进行了比较,说明在分子轨道理论从头计算法中扩大使用的基组对计算结果的改进有着明显的作用。 相似文献
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本文通过观测在不同温度下加热过的硼酸盐矿物的红外光谱,并与喇曼光谱结果进行比较,讨论了红外光谱谱带的归属。结果表明,通过观测不同温度下加热过的样品的谱带特征有助于谱带的归属。 相似文献
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XIAO Li-mei SUN Feng-yue College of Earth Sciences Jilin University Changchun Jilin China 《东北亚地学研究》2005,(Z1)
Gaotaigou borate deposit in Ji'an area, southeastern Jilin, is located in the easten end of Liaoning-Jilin (Liaoji) Proterozoic paleo-rift, which is a medium-sized deposit and makes up 67% of the total borate reserves in Jilin Province. The original borate ore bodies were formed by sedimentary exhalative process in Paleoproterozoic, but were activated and enriched by later metamorphism. In late stage of metamorphistn, hydrothermal fluid of metamorphic origin made wallrocks be altered and the borate ore bodies be reformed. Ore bodies are strictly controlled by strata and their lithologies. In addition, the shape and spatial distribution of ore bodies are also defined by the Gaotaigou syncline. Combined with the ore-controlling factors and mineralizing features, it has been proposed that Gaotaigou borate deposit is a metamorphosed and hydrothermally altered sedimentary exhalative deposit. 相似文献
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正It is well known that boron exists as polyborate anions in aqueous solution.Boron atom can coordinates to three or four oxygen atoms and borate can exist as not only the monomer but also the polymer.The polymerization 相似文献
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湖南七里坪-半边街接触交代型硼矿,矿体产于中石炭统壶天群白云岩与燕山期花岗岩接触带的矽卡岩中,产状受岩体顶板形态的控制,多为似层状、透镜状、囊状等。一般离岩体较远的部位硼矿石的品位较富,但靠近岩体的部位矿体较厚大。据微量元素相关系数聚类谱系图分析,B元素在岩体中呈分散状态,在高温热液中易于聚集,在矽卡岩中富集成矿,在蚀变的白云岩中有轻微的富集。 相似文献