Department of Chemistry, Tongji University, Shanghai 200092, China.
J Am Chem Soc. 2011 Mar 23;133(11):3768-71. doi: 10.1021/ja1110442. Epub 2011 Feb 25.
Electron-deficient group 13 metals react with F(2) to give the compounds MF(2) (M = B, Al, Ga, In, Tl), which combine with F(2) to form a new class of very high electron affinity neutral molecules, (F(2))MF(2), in solid argon and neon. These (F(2))MF(2) fluorine metal difluoride molecules were identified through matrix IR spectra containing new antisymmetric and symmetric M-F stretching modes. The assignments were confirmed through close comparisons with frequency calculations using DFT methods, which were calibrated against the MF(3) molecules observed in all of the spectra. Electron affinities calculated at the CCSD(T) level fall between 7.0 and 7.8 eV, which are in the range of the highest known electron affinities.
缺电子的第 13 族金属与 F(2)反应生成 MF(2)（M = B、Al、Ga、In、Tl），这些化合物与 F(2)结合形成了一类新的具有非常高电子亲和能的中性分子（F(2))MF(2)，在固体氩气和氖气中。这些（F(2))MF(2)氟金属二氟化物分子通过包含新的不对称和对称 M-F 伸缩模式的矩阵 IR 光谱被识别出来。通过与使用 DFT 方法进行的频率计算进行密切比较，对这些分配进行了确认，这些计算方法是根据所有光谱中观察到的 MF(3)分子进行校准的。在 CCSD(T)水平下计算的电子亲和力在 7.0 和 7.8 eV 之间，处于已知的最高电子亲和力范围。
