硼酸盐晶体结构与性能关系的价键理论研究进展  

Valence Bond Theory Research for the Relationship of Borate Crystal Structure and Properties

作　　者：刘瑞元[1,2] 卿德林[1,2] 彭亮 李永寿[1] 

机构地区：[1]中国科学院青海盐湖研究所,青海西宁810008 [2]中国科学院研究生院,北京100039 [3]青海省水文地质工程地质勘察院,青海西宁810008

出　　处：《盐湖研究》2012年第3期68-72,共5页Journal of Salt Lake Research

摘　　要：硼酸盐晶体结构类型多样,物理和化学性质优良,在国民经济的许多部门应用广泛。随着人们对晶体认识的深入,晶体结构与性能关系的重要性愈加明显。量子化学计算在晶体研究中有重要的地位,但化学键分析方法简便,能定量表述晶体结构与性能关系,特别是在复杂体系研究中有其优势。简述了复杂体系的化学键介电理论,分析了硼酸盐晶体结构与性质关系的研究方法,展望了硼酸盐晶体的价键理论研究前景。Because of its various crystal structure types, excellent physical and chemical properties, borate is widely used in many sectors of national economy. With the in-depth understanding of the crystal, the importance of the realtionship between crystal structure and properties is self-evident. Though quantum chemical calculations with an important role in the study of crystal, chemical bond analysis method has its advantages for the simplicity and can quantitatively describe the realtionship between crystal and properties, especially in the study of complex systems. This study has been made a simple description of complex system＇ s dielectric chemical bond theory, analyzed the research methods of the relationship between the borate crystal structure and properties, and done an outlook in the study of borate crystals＇ valence bond theory.

关 键 词：硼酸盐 复杂体系 价键理论 

分 类 号：O613.81[理学—无机化学] O641.2[理学—化学]