论文部分内容阅读
半夹芯16e化合物CpCoS2C2B10H10(Cp:cyclopentadienyl)(1)与2-呋喃炔酮在物质的量比为1∶1.5时反应分离得到1个顺磁性化合物CpCoS2C2B10H9(C12H10O2)(2)。在化合物2的合成过程中,一分子1中的Cp环与另一分子1中的B(3)/B(6)位连接;同时,该Cp环与1个2-呋喃炔酮分子发生Diels-Alder反应,生成1个双环[2.2.1]-2-庚烯基结构单元。此外,呋喃炔酮分子中的末端炔基碳原子与原料1中的1个硫原子相连,从而使得产物2中的钴中心离子是个17e中心。化合物2用红外、核磁、元素分析,质谱和单晶X-射线衍射分析等方法进行了表征。晶体属三斜晶系,空间群P1,晶胞参数:a=0.966 57(11)nm,b=1.544 23(15)nm,c=1.756 50(18)nm,α=114.080 0(10)°,β=105.433(2)°,γ=98.639 0(10)°。
The semi-sandwich 16e compound CpCoS2C2B10H10 (Cp: cyclopentadienyl) (1) is reacted with 2-furanynone to obtain 1 paramagnetic compound CpCoS2C2B10H9 (C12H10O2) (2) when the substance ratio is 1: 1.5. In the synthesis of compound 2, the Cp ring in one molecule 1 is connected to the B (3) / B (6) in another molecule 1; at the same time, the Cp ring and one 2-furyl acetylene ketone molecule are subjected to Diels -Alder reaction to form a bicyclo [2.2.1] -2-heptenyl structural unit. In addition, the terminal alkynyl carbon atom in the furfuralone molecule is attached to one of the sulfur atoms in starting material 1 such that the cobalt central ion in product 2 is a 17e center. Compound 2 was characterized by IR, NMR, elemental analysis, mass spectrometry and single crystal X-ray diffraction analysis. The crystal belongs to the triclinic system with a space group of P1 with unit cell parameters of a = 0.966 57 (11) nm and b = 1.544 23 (15) nm, c = 1.756 50 , β = 105.433 (2) °, γ = 98.639 0 (10) °.