毕业论文-二硫烯类电荷转移化合物的分子组装论文.docVIP

PAGE 二硫烯类电荷转移化合物的分子组装 作 者：XX 指导老师：XXX 摘 要：含马来二腈基二硫烯过渡金属离子单元（[M(mnt)2]n-, M = Ni、Pd、Pt; mntn- = 马来二腈基二硫代酸根; n = 1、2）的离子对电荷转移配合物具有扩展的离域电子体系以及独特的平面型分子构型，在导电材料、磁性材料、染料、光学非线性材料、催化以及其他方面有着独特的性质，近年来备受关注，是当今无机化学前沿领域中新型功能配合物的重要研究对象之一。设计、合成具有新结构、新性能的马来二腈基二硫烯过渡金属配合物，探索结构与性能之间的关系，无论在理论上还是在实际应用中都具有重要的意义。本论文设计合成了2个新的[M(mnt)2]2-配合物[m-CNBzPy]2[Ni(mnt)2] (1) and [o-OHBz-1-APy]2[Ni(mnt)2]（2），培养了相应化合物的单晶，并解析了晶体结构。化合物1属于单斜晶系空间群为P21/c, 阴、阳离子堆积形成层状结构。化合物2属于三斜晶系空间群为P-1，阴、阳离子堆积形成混合柱。 关 键 词: 离子对，晶体结构，结构表征 Charge transfer complexes based on [Ni(mnt)2]2- block: Molecular design, crystal structures Abstract：Ion-pair charge transfer complexes of [M(mnt)2]n- with a variety of counter-ions (M = Ni, Pd, Pt; mnt n- = maleonitriledithiolate; n = 1, 2) have been widely studied due to their novel properties in the areas of conducting and magnetic materials, dyes, non-linear optics, catalysis and others. These unusual properties arise principally from the specially planar molecular geometry and delocalizing electron structure of [M(mnt)2]n- anion. It is an important studying object of new functionnal complexes in the frontier of inorganic chemistry field. For theoretical and practical meanings, it is important to synthesize new dithiolate metal complexes with new structure and function, and to investigate the relationship between the structure and the property of resulted compounds. Two new complexes, [m-CNBzPy]2[Ni(mnt)2] (1) and [o-OHBz-1-APy]2[Ni(mnt)2] (2) have been synthesized and characterized structurally,. The crystal of 1 crystallizes in the monoclinic space group P21/c, The crystal of 2 belongs to triclinic space group P-1. Keywords：Ion pair, crystal struxture, structural characterization 目 录 TOC \o 1-3 \h \z \u HYPERLINK \l _Toc229404394 1.前言1 1.1二硫烯类电荷转移化合物的分子的研究现状1 1.2本课题的主要工作4 HYPERLINK \l _Toc229404404 2.实验部分5 HYPERLINK \l _Toc229404407 2.1配合物的合成5 3.配合物的结构分析5 HYPERLINK \l _Toc229404409 3.1晶体结构解析6 HYPERLINK \l _Toc229404410 3.2配合物1的晶体结构7 3.3配合物2的晶体结构…………