高氯酸碳酰肼过渡金属配合物晶体形态的理论和实验研究

引用本文: 杨利, 张国英, 刘影, 张同来. 高氯酸碳酰肼过渡金属配合物晶体形态的理论和实验研究[J]. 物理化学学报, 2017, 33(12): 2463-2471. doi: 10.3866/PKU.WHXB201706193 shu

Citation: YANG Li, ZHANG Guo-Yng, LIUYing, ZHANG Tong-Lai. Theoretical and Experimental Studies on the Crystal Morphology of Transition-Metal Carbohydrazide Perchlorate Complexes[J]. Acta Physico-Chimica Sinica, 2017, 33(12): 2463-2471. doi: 10.3866/PKU.WHXB201706193 shu

高氯酸碳酰肼过渡金属配合物晶体形态的理论和实验研究

北京理工大学, 爆炸科学与技术国家重点实验室, 北京 100081
基金项目:
爆炸科学与技术国家重点实验室基金（YB2016-17）及国家自然科学基金（11672040）资助项目

摘要: 通过Bravais-Freidel-Donnay-Harker （BFDH法）和growth morphology （生长形态法）方法，研究了高氯酸碳酰肼锰、高氯酸碳酰肼铁、高氯酸碳酰肼钴、高氯酸碳酰肼镍和高氯酸碳酰肼镉的晶体生长形态。结果表明，这5种化合物的晶形均接近长块状，在（10101）和（002）晶面的相对生长速度最小，为晶体的最重要的生长方向。根据晶体的主要生长晶面，推断出官能团中具有活性氢原子的晶形控制剂可以有效地控制晶形。此外，通过实验合成这5中配合物，并用冷场发射扫描电子显微镜观察其晶体形貌，通过对比表明growth morphology的模拟结果更接近实验所得形貌，因此该方法可以更可靠地预测高氯酸碳酰肼金属配合物的晶体形态。

关键词:

晶体形貌
/ 预测
/ 附着能
/ 生长速率

English

Theoretical and Experimental Studies on the Crystal Morphology of Transition-Metal Carbohydrazide Perchlorate Complexes

State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China
Received Date: 17 May 2017
Revised Date: 13 June 2017
Fund Project:
The project was supported bythe State Key Laboratory of Explosion Science and Technology, China (YB2016-17) and the National Natural Science Foundation of China (11672040).

Abstract: The crystal growth morphologies of manganese carbohydrazide perchlorate, iron carbohydrazide perchlorate, cobalt carbohydrazide perchlorate, nickel carbohydrazide perchlorate and cadmium carbohydrazide perchlorate were investigated by Bravais-Freidel-Donnay-Harker (BFDH) and growth morphology method. The results show that the crystal morphologies of them are close to oblong block shapes, and the growth on (101)and (002) faces are the most important growth direction because of the minimum relative growth rates. According to the cleaved main growth faces, it can be inferred that crystal-control reagents with the active hydrogen atoms in the functional groups can effectively control the crystal morphology for them. In addition, the experimental morphologies of them were synthesized and observed by a coldfield-emission scanning electron microscope. It is concluded that AE model are nearer to experimental morphology, and more reliable to predict crystal morphologies for carbohydrazide perchlorates.

Key words:

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沈阳化工大学材料科学与工程学院沈阳 110142

高氯酸碳酰肼过渡金属配合物晶体形态的理论和实验研究

English

Theoretical and Experimental Studies on the Crystal Morphology of Transition-Metal Carbohydrazide Perchlorate Complexes

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

高氯酸碳酰肼过渡金属配合物晶体形态的理论和实验研究

English

Theoretical and Experimental Studies on the Crystal Morphology of Transition-Metal Carbohydrazide Perchlorate Complexes

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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