Synthesis?Characterization Of Fullerene Derivatives And The Structural Deformation Of Metallofullerenes Under High Pressure

In this paper,on the base of arc discharge synthesis and HPLC isolation of fullerenes,mainly research two aspects:On the one hand,in order to make the fullerenes become functional material,expand the scope of use.Using hollow fullerenes C₆₀,C₇₀ and metallofullerenes Gd@C₈₂ to hydroaminated react with four different aza-crown ethers: C₈H₂₀N₄,C₁₀H₂₄N₄,C₁₁H₂₆N₄ and C₁₂H₃₀N₆.And characterition the fullerene derivatives in solid form innovativel y.Through EA,MS,IR,UV-VIS and XRD research them.First,by EA calculating the addition of fullerene derivatives,then characterized the molecular formulas of the derivatives by MS.Based on the IR spectra analysis,showed the mechanism of hydrogen amination of fullerene derivatives.The UV absorption spectra helped analysis the property of the fullerene derivatives deeply from the energy band gap value.Finally,XRD method indicated that the derivatives were powder in amorphous state.On the other hand,we want to make sure the structural deformation of the fullerenes,avoiding influencing the using value of the practical application.We researched the structural deformation of high carbon cages Sm@C_3v?134?-C₉₄ under high pressure for the first time.Through testing the situ infrared absorption spectrum of Sm@C_3v?134?-C₉₄ under high-pressure,studied the deformation process of the metallofullerene carbon cages,and the impact of the metal atoms incased on the above process.The embedded Sm atom supported for the deformation of carbon cage,slowing down the deformation of the carbon cage nearby with the pressure By comparing,the theoretical calculation results and the mid-infrared band vibration mode of Sm@C_3v?134?-C₉₄ in usual atmospheric pressure,analysis of vibration modes of the carbon cage.With the pressure rised,the Sm@C_3v?134?-C₉₄ carbon cage deformed more severely.Further more,the deformation of the whole Sm@C_3v?134?-C₉₄ carbon cage under high pressure was anisotropic.Especially finding the change of Sm@C_3v?134?-C₉₄ band gap value of HOMO-LUMO with the pressure was nonlinear.