title: Aryl-BIAN-ligated silver(I) trifluoromethoxide complex.
abstract: A reaction of acetonitrile-solvated AgOCF3 with 1 equiv. of Aryl-BIAN ligand in THF at room-temperature afforded the silver(i) complex (Aryl-BIAN)AgOCF3 (1) in 75% yield. The crystal structure of this silver(i) trifluoromethoxide was determined by single-crystal X-ray crystallography. The molecular structure of 1 shows the metal centre bound to one molecule of BIAN, one trifluoromethoxide and one THF solvate, resulting in a distorted tetrahedral silver. Density functional theory (DFT) calculations and the natural bond orbital (NBO) analysis were conducted to give insights into the electronic structure of 1 and the bonding characters of the OCF3 group. The reactivity of 1 towards trifluoromethoxylation of organic halides was also examined; a reaction with benzyl bromides gave the desired products of benzyl trifluoromethyl ethers in good to excellent yields.
authors.affiliation: State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China. zweng@fzu.edu.cn.
authors.forename: Shouxiong
authors.initials: S
authors.lastname: Chen
authors.forename: Yangjie
authors.initials: Y
authors.lastname: Huang
authors.forename: Xin
authors.initials: X
authors.lastname: Fang
authors.forename: Haohong
authors.initials: H
authors.lastname: Li
authors.forename: Zhongxing
authors.initials: Z
authors.lastname: Zhang
authors.forename: T S Andy
authors.initials: TS
authors.lastname: Hor
authors.forename: Zhiqiang
authors.initials: Z
authors.lastname: Weng