Infrared Spectra and Density Functional Theory Calculations of Group 8 Transition Metal Sulfide Molecules
作者:Binyong Liang、Xuefeng Wang、Lester Andrews
DOI:10.1021/jp900994c
日期:2009.5.7
Small sulfur molecules were reacted with laser-ablated Fe, Ru, and Os atoms in excess argon and condensed at 7 K. Reaction products were identified from matrix infrared spectra through sulfur-34 isotopic shifts, spectra of sulfur isotopic mixtures, and frequencies from density functional calculations. The strongest absorptions of the MS2 disulfide molecules are observed at 540.2, 535.5, and 537.5 cm−1
小硫分子与激光烧蚀后的过量氩气中的Fe,Ru和Os原子发生反应并在7 K处冷凝。通过硫34同位素位移,硫同位素混合物的光谱以及密度的频率从基体红外光谱中识别出反应产物功能计算。对于第8组金属,分别在540.2、535.5和537.5 cm -1处观察到MS 2二硫化物分子的最强吸收,并且将523.2 cm -1的谱带分配给固态氩中的FeS振动基波。所述的FeS 2 -在542.1厘米在光谱中检测到阴离子-1。RuS 2吸收显示出已解决的天然钌同位素分裂。还提供了具有不同结构的侧面结合的M(S 2)异构体和MS 4分子的证据,包括Fe(S 2)2,(S 2)RuS 2和四面体OsS 4。尽管OsO 4是一个众所周知的分子,但我们认为这是OsS 4的首次实验观察。