| 对过碳酸根离子结构问题的探讨 |
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| 引用本文： | 程学礼. 对过碳酸根离子结构问题的探讨[J]. 泰山学院学报, 2007, 29(3): 98-101 |
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| 作者姓名： | 程学礼 |
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| 作者单位： | 泰山学院化学系,山东泰安,271021 |
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| 摘 要： | 本文用Gaussian98程序优化了CO42-所有可能的几何构型，并用能量分析、振动模式分析和电子布居分析研究了含过氧键的CO42-的结构，进而分析了与过碳酸钠固体结构的关系.
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| 关 键 词： | 过碳酸根离子 振动模式分析 电子布居分析 |
| 文章编号： | 1672-2590（2007）03-0098-04 |
| 修稿时间： | 2007-01-18 |
A discussion about the structures of percarbonate ion |
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| CHENG Xue-Li. A discussion about the structures of percarbonate ion[J]. Journal of Taishan University, 2007, 29(3): 98-101 |
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| Authors: | CHENG Xue-Li |
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| Abstract: | In this paper, all possible geometries of CO^2-4 have been optimized with Gaussian98 package, subsequently, the energy analysis, vibrational analysis and electron population analysis were employed to investigate the structures of CO^2-4 ion with peroxide bonds, and the relationship with sodium percarbonate cry. stals was discussed |
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| Keywords: | Percarbonate ion vibrational analysis electron population analysis |
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