| Ring-opened Crystal Structure and Photochromism of 2,2-Bis（4-tertiary butyl phenyl）-3H-naphtho[2,1-b]pyran |
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| 引用本文： | 谈廷风,庞美丽,吴边鹏. Ring-opened Crystal Structure and Photochromism of 2,2-Bis（4-tertiary butyl phenyl）-3H-naphtho[2,1-b]pyran[J]. 结构化学, 2009, 28(2): 187-190 |
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| 作者姓名： | 谈廷风 庞美丽 吴边鹏 |
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| 作者单位： | TAN Ting-Feng,WU Bian-Peng(Department of Materials Science & Engineering,Tianfin Institute of Urban Construction,Tianjin 300384,China);PANG Mei-Li(Department of Chemistry,Nankai University,Tianfin 300071,China) |
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| 摘 要： | The title compound, 2,2-bis（4-tertial butyl phenyl） naphthopyran, has been prepared and characterized by means of IR, ^1H NMR and elemental analysis, and its crystal structure was determined with X-ray diffraction in the ring-opened form after hydrolyzation. It belongs to monoclinic, space group P21/c, with a = 14.358（3）, b = 7.6725（15）, c = 24.470（5） А, β= 97.147（4）°, C_33H_36O2, Mr=464.62, V= 2674.8（9）А^3, Z = 4, Dc = 1.154 g/cm^3,μ= 0.070 mm^-1, F（000） = 1000, the final R = 0.0514 and wR = 0.1272 for 5444 observed reflections （I 〉 2σ（I））. X-ray analysis revealed that the C（13）-O（1） bond of the title compound cracks after UV irradiation, the six-membered heterocycles are destroyed, and zwitterionic intermediates come into being. The molecular structure in the ring-opened form is obtained after hydrolyzation. It is infrequent that the single-crystal structure is determined in a ring-opened form. A two-dimensional framework is formed by O-H…O and CAr-H…O hydrogen bonds. The UV-vis spectra show that the title compound exhibits excellent photochromic properties in solutions and polymers.
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| 关 键 词： | 萘吡喃 开环形成 晶体结构 光致变色 4-三丁基苯基化合物 |
Ring-opened Crystal Structure and Photochromism of 2,2-Bis(4-tertiary butyl phenyl)-3H-naphtho[2,1-b]pyran |
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| TAN Ting-Feng,PANG Mei-Li,WU Bian-Peng. Ring-opened Crystal Structure and Photochromism of 2,2-Bis(4-tertiary butyl phenyl)-3H-naphtho[2,1-b]pyran[J]. Chinese Journal of Structural Chemistry, 2009, 28(2): 187-190 |
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| Authors: | TAN Ting-Feng PANG Mei-Li WU Bian-Peng |
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| Affiliation: | 1. Department of Materials Science & Engineering,Tianfin Institute of Urban Construction,Tianjin 300384,China
2. Department of Chemistry,Nankai University,Tianfin 300071,China |
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| Abstract: | The title compound, 2,2-bis(4-tertial butyl phenyl) naphthopyran, has been prepared and characterized by means of IR, 1H NMR and elemental analysis, and its crystal structure was determined with X-ray diffraction in the ring-opened form after hydrolyzation. It belongs to monoclinic, space group P21/c, with a = 14.358(3), b = 7.6725(15), c = 24.470(5) A,, β= 97.147(4)°, C33H36O2, Mr = 464.62, V = 2674.8(9) A3, Z = 4, Dc = 1.154 g/cm3,μ = 0.070 mm-1, F(000) = 1000, the final R = 0.0514 and wR = 0.1272 for 5444, observed reflections (I > 2σ(Ⅰ)). X-ray analysis revealed that the C(13)-O(1) bond of the title compound cracks after UV irradiation, the six-membered heterocycles are destroyed, and zwitterionic intermediates come into being. The molecular structure in the ring-opened form is obtained after hydrolyzation. It is infrequent that the single-crystal structure is determined in a ring-opened form. A two-dimensional framework is formed by O-H…O and Car-H…O hydrogen bonds. The UV-vis spectca show that the title com-pound exhibits excellent photochromic properties in solutions and polymers. |
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| Keywords: | naphthopyran ring-opened form crystal structure photochromism |
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