一种稳定的均配有机金属铁（IV）配合物。
A Stable Homoleptic Organometallic Iron(IV) Complex.
作者信息
Prakash Om, Chábera Pavel, Rosemann Nils W, Huang Ping, Häggström Lennart, Ericsson Tore, Strand Daniel, Persson Petter, Bendix Jesper, Lomoth Reiner, Wärnmark Kenneth
机构信息
Centre for Analysis and Synthesis, Department of Chemistry, Lund University, Box 124, Lund, 22100, Sweden.
Division of Chemical Physics, Department of Chemistry, Lund University, Box 124, Lund, 22100, Sweden.
出版信息
Chemistry. 2020 Oct 6;26(56):12728-12732. doi: 10.1002/chem.202002158. Epub 2020 Sep 11.
A homoleptic organometallic Fe complex that is stable in both solution and in the solid state at ambient conditions has been synthesized and isolated as Fe(phtmeimb) (phtmeimb=[phenyl(tris(3-methylimidazolin-2-ylidene))borate] ). This Fe N-heterocyclic carbene (NHC) complex was characterized by H NMR, HR-MS, elemental analysis, scXRD analysis, electrochemistry, Mößbauer spectroscopy, and magnetic susceptibility. The two latter techniques unequivocally demonstrate that Fe(phtmeimb) is a triplet Fe low-spin S=1 complex in the ground state, in agreement with quantum chemical calculations. The electronic absorption spectrum of Fe(phtmeimb) in acetonitrile shows an intense absorption band in the red and near IR, due to LMCT (ligand-to-metal charge transfer) excitation. For the first time the excited state dynamics of a Fe complex was studied and revealed a ≈0.8 ps lifetime of the LMCT excited state of Fe(phtmeimb) in acetonitrile.
一种在环境条件下在溶液和固态中均稳定的均配型有机金属铁配合物已被合成并分离为Fe(phtmeimb) （phtmeimb = [苯基（三（3-甲基咪唑啉-2-亚基））硼酸盐] ）。该铁氮杂环卡宾（NHC）配合物通过 H NMR、高分辨质谱、元素分析、单晶X射线衍射分析、电化学、穆斯堡尔光谱和磁化率进行了表征。后两种技术明确表明，Fe(phtmeimb) 在基态是一个三重态铁低自旋S = 1配合物，这与量子化学计算结果一致。Fe(phtmeimb) 在乙腈中的电子吸收光谱在红色和近红外区域显示出一个强吸收带，这是由于配体到金属的电荷转移（LMCT）激发引起的。首次对铁配合物的激发态动力学进行了研究，结果表明Fe(phtmeimb) 在乙腈中的LMCT激发态寿命约为0.8 皮秒。
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