Gold(I) Chloride Coordinated 3-Hexyne

A linear gold(I) complex featuring a simple, unstrained alkyne has been synthesized using AuCl and 3-hexyne and characterized using X-ray crystallography. Density functional theory calculations show that σ donation from alkyne → Au dominates over the Au → alkyne π back-donation.

本研究以氯化亚金（AuCl）与3-己炔为原料，合成了一种含简单无张力炔烃配体的直线型一价金配合物，并通过X射线晶体学（X-ray crystallography）完成了结构表征。密度泛函理论（Density functional theory）计算结果显示，炔烃向金中心的σ给体配位作用相较于金中心向炔烃的π反馈配位作用占主导地位。