| Crystal Structures and Spectroscopy of Anti-2,4-bis（3-R-phenyl）pentane-2,4-diols （R = Me, SMe） |
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| 作者姓名： | JIAO Yin-Chun CAO Chen-Zhong ZHAO Xiao-Lin |
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| 基金项目： | NNSFC，the Scientific Research Fund of Hunan Provincial Education Department，the Open Foundation of Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education |
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| 摘 要： | Two anti-2,4-bis(3-R-phenyl)pentane-2,4-diols (1, R = Me; 2, R = SMe) have been synthesized and were characterized by X-ray diffraction, IR and UV spectra. X-ray diffractions indicate that intra- and intermolecular hydrogen bonding interactions form one-dimensional (1D) ribbons. The adjacent infinite 1D ribbons result in 3D supramolecular structures. The dihedral angles between every two benzene rings in the two diols are 31.61(12) and 31.80(7)°, respectively. UV absorption spectra of the title compounds were recorded in MeOH, C2H5OH, CH3CN, n-BuOH and cyclohexane solvents with different dielectric constants.
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| 关 键 词： | UV光谱 二醇 晶体结构 中小企业 戊烷 苯基 X-射线衍射 氢键相互作用 |
Crystal Structures and Spectroscopy of Anti-2,4-bis(3-R-phenyl)pentane-2,4-diols (R = Me, SMe) |
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| JIAO Yin-Chun,CAO Chen-Zhong,ZHAO Xiao-Lin.Crystal Structures and Spectroscopy of Anti-2,4-bis(3-R-phenyl)pentane-2,4-diols (R = Me, SMe)[J].Chinese Journal of Structural Chemistry,2012,31(12). |
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| Institution: | 1. School of Chemistry and Chemical Engineering,Central South University, Changsha 410083, China School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201, China; Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, China, and Hunan Provincial University Key Labor
2. School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201, China; Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, China, and Hunan Provincial University Key Labor |
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| Abstract: | Two anti-2,4-bis(3-R-phenyl)pentane-2,4-diols (1, R = Me; 2, R = SMe) have been synthesized and were characterized by X-ray diffraction, IR and UV spectra. X-ray diffractions indicate that intra- and intermolecular hydrogen bonding interactions form one-dimensional (1D) ribbons. The adjacent infinite 1D ribbons result in 3D supramolecular structures. The dihedral angles between every two benzene rings in the two diols are 31.61(12) and 31.80(7)°, respectively. UV absorption spectra of the title compounds were recorded in MeOH, C2H5OH, CH3CN, n-BuOH and cyclohexane solvents with different dielectric constants. |
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| Keywords: | crystal structure hydrogen bonds UV absorption solvent effect |
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