二原子一化物与铁的终端协调
Myles J Drance1, Jeffrey D Sears2, Anthony M Mrse1
1Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, Mail Code 0358, La Jolla, CA 92093-0358, USA.
概括
单化物 (BF) 是一种反应性分子,但科学家已经将其作为铁复合体中的配体稳定. 这种BF连接体具有强大的sigma-donor和pi-acceptor特性,扩大了协调化学的可能性.
科学领域:
- 无机化学
- 有机金属化学
- 材料科学
背景情况:
- 一化物 (BF) 是二原子分子,与一氧化碳 (CO) 相同.
- 在室温下BF非常不稳定,限制了其在协调化学中的使用.
- 碳化合物是一种广泛用于过渡金属复合物的稳定配体.
研究的目的:
- 隔离和表征一个具有终端单 (BF) 连接体的铁复合物.
- 在协调复合体中研究BF连体的电子性质.
- 为了比较BF配体与同电子二 (N2) 和一氧化碳 (CO) 配体的特性.
主要方法:
- 铁复合体Fe ((BF) ((CO) 2 ((CNArTripp2) 2的合成
- 单晶X射线衍射分析
- 核磁共振 (NMR),红外 (IR) 和莫斯巴尔光谱.
- 密度函数理论 (DFT) 和电子密度拓计算
主要成果:
- 用终端BF连接物分离稳定的铁复合物Fe ((BF) ((CO)) 2 ((CNArTripp2) 2).
- 谱学和晶体学数据显示BF配体具有强大的西格玛-捐赠和pi-接受能力.
- DFT计算支持BF连体的强大的电子特性.
结论:
- 终端BF连接体具有非常强的西格玛-捐赠者和pi-接受者特征.
- 这项研究扩展了单的已知协调化学反应.
- 这些发现表明新型有机金属化合物和材料中可能存在BF.
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