Andrews Lester, Cho Han-Gook
J Phys Chem A. 2005 Aug 11;109(31):6796-8. doi: 10.1021/jp052918o.
The actinide methylidene CH2=ThH2 molecule is formed in the reaction of laser-ablated thorium atoms with CH4 and trapped in a solid argon matrix. The five strongest infrared absorptions computed by density functional theory (two ThH2 stretches, C=Th stretch, CH2 wag, and ThH2 bend) are observed in the infrared spectrum. The computed structure shows considerable agostic bonding distortion of the CH2 and ThH2 subunits in the simple actinide methylidene dihydride CH2=ThH2 molecule, which is similar to the transition metal analogue, CH2=HfH2.
锕系亚甲基分子CH2=ThH2是在激光烧蚀钍原子与CH4的反应中形成的，并被困在固体氩基质中。在红外光谱中观察到了由密度泛函理论计算出的五个最强红外吸收峰（两个ThH2伸缩振动、C=Th伸缩振动、CH2摇摆振动和ThH2弯曲振动）。计算得到的结构表明，在简单的锕系亚甲基二氢化物CH2=ThH2分子中，CH2和ThH2亚基存在明显的agostic键扭曲，这与过渡金属类似物CH2=HfH2相似。
