四核化集群:在温和条件下的二裂变及其反应性
Hanhua Xu1, Hanjie Wu1, Xiao Chen1
1Beijing National Laboratory for Molecular Science (BNLMS), Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, College of Chemistry, Peking University, Beijing, 100871, China.
加热一个二复合物将NN键裂开,形成一个新的四核化集群. 这个集群与电友和皮纳科尔博兰反应,产生各种含化合物和N-B键衍生物.
科学领域:
- 有机金属化学 有机金属化学
- 无机化学 无机化学
- 材料科学 材料科学 材料科学
背景情况:
- 早期过渡金属-二复合物的合成和反应性对于固定研究至关重要.
- 复合物为N2激活提供独特的电子特性.
研究的目的:
- 为了研究三核二复合物的热反应性.
- 为了描述由此产生的化集群,并探索其化学转化.
主要方法:
- 在中发生热反应.
- 单晶X射线 difraktion 的使用方法.
- 运动学研究运动学.
- 密度函数理论 (DFT) 的计算.
- 与电友,皮纳科尔波兰,以及二烯/DMAP的反应.
主要成果:
- 通过NN键裂变形成一个四核化集群[{TiCp*}4Cl(μ-Cl) 3(μ3-N) 2 2 .
- 确定NN债券裂变能量屏障为~26kcalmol-1.NN债券裂变能量屏障被确定为~26kcalmol-1.
- 复合物2与电友,皮纳科尔和基发生反应,产生各种含化合物和N-B衍生物.
结论:
- 三核二复合物经历热N2裂变,形成一个稳定的四核化集群.
- 化集群表现出多功能反应性,使各种有机化合物的合成成为可能.
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