L→S 含有索-2-伊利丁联体的协调复合物:量子化学分析和合成
Joy Mukhopadhyay1, Srikant Bhagat1, Subash C Sahoo2
1Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S. A. S., Nagar, Punjab, 160062, India.
ChemPlusChem
|March 30, 2024
概括
这项研究引入了新的N-异环碳 (NHC) →硫协调复合物. 研究人员合成和分析了这些复杂物,证实了NHC配体和硫之间的协调相互作用.
科学领域:
- 有机金属化学 有机金属化学
- 主群 化学 化学
- 计算化学的计算化学
背景情况:
- 对于主要组元素E=B,C,N,Si,P,建立了N-异环碳素 (NHC)→E协调.
- 最近有人提出了 (NHC) →S协调化学的可能性.
- 佐-2-利丁是探索硫协调的相关NHC连接体.
研究的目的:
- 调查 (NHC)→S协调相互作用的可行性和性质.
- 为了合成和描述新的 (NHC) →S-R(+)复合体.
- 阐明与 (NHC)→S键的形成相关的电子变化.
主要方法:
- 用密度函数理论 (DFT) 的计算来分析电子结构和粘合.
- 合成策略涉及制备双价硫化合物与西醇替代剂.
- 使用甲基三酸盐的N-化和随后的C NMR光谱学用于表征.
主要成果:
- DFT研究证实, (NHC) →S相互作用最好被描述为协调相互作用.
- (NHC)→S-R(+)复合物的成功合成是通过在现场生成NHC配体而实现的.
- 13C NMR光谱变化表明C-S键特性在甲基化后从共价转变为协调.
结论:
- 这项工作为 (NHC) →S协调化学的存在提供了有力的证据.
- 合成的复合物证明了NHC在与包括硫在内的主要组元素协调方面的多功能性.
- 这些发现扩大了已知的NHC协调化学的范围,并提供了对主要组元素结合的见解.
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