Fig. 1. The XRD pattern of sample under ambient pressure. The black lines are from calculation result of α phase metal-free phthalocyanine (α-H₂Pc)^[3]样品的XRD表征.黑色竖线是利用文献[3]中α相酞菁晶体结构计算出的结果

Fig. 2. The Raman spectra of α-H₂Pc: (a) The Raman spectra of sample at ambient pressure and decompressed from 12.0 GPa; (b) the Raman spectra of α-H₂Pc under high pressure; (c) the Raman peak around 623 cm^–1 under high pressure 样品拉曼光谱测试　(a) 常压与卸压样品的拉曼光谱; (b) 酞菁的高压拉曼光谱; (c) 峰位为623 cm^–1的拉曼峰随着压力升高峰强增强

Fig. 3. The Raman frequency of H₂Pc as functions of pressure. 样品的拉曼峰位随压力的变化

Fig. 4. The fluorescence (FL) spectra of α-H₂Pc: (a) The FL spectra of α-H₂Pc at ambient pressure (black line) and decompressed from 4.0 GPa (red line); (b) the FL spectra of α-H₂Pc under high pressure during compressing; (c) the blue and red dots are the position of P1 and P2 during compressing, the blue and red lines are the linear fitting between the position and pressure, and the dash lines are the extension of the blue and red line; (d) the FL spectra of α-H₂Pc under high pressure during decompressing; (e) the intensity ratio of P1 and P2 under high pressure 样品的荧光光谱　(a)样品的常压和卸压荧光光谱; (b) 样品的升压荧光光谱; (c) 样品的荧光中心随压力的变化及其线性拟合, 虚线为线性拟合所得直线的延长线; (d) 样品卸压过程中的荧光光谱; (e) 两个荧光中心的峰强比随压力的变化图

Fig. 5. The arrangement and overlapping of PC molecules in α-H₂Pc and χ-H₂Pc:　(a) The arrangement of Pc molecules in α-H₂Pc; (b) the arrangement of Pc molecules in χ-H₂Pc; (c) the overlapping of Pc molecules in α-H₂Pc; (d) the overlapping of Pc molecules in χ-H₂Pc ^[1,3]. α相和χ相酞菁的分子排布和重叠程度示意图　(a) α相酞菁的分子排布; (b) χ相酞菁的分子排布; (c) α相酞菁的分子重叠程度; (d) χ相酞菁的分子重叠程度

Table 1. Structural parameters of different phases of metal-free phthalocyanine^[1,3].