Two thiouronium iodide salts,（E）-2-methyl-1,3-diphenylisothiouronium iodide（1） and 1,3-dibenzyl-2-methylisothiouronium iodide（2）,were synthesized and characterized by single-crystal X-ray diffraction,1H NMR,IR,U...Two thiouronium iodide salts,（E）-2-methyl-1,3-diphenylisothiouronium iodide（1） and 1,3-dibenzyl-2-methylisothiouronium iodide（2）,were synthesized and characterized by single-crystal X-ray diffraction,1H NMR,IR,UV-vis and luminescence spectra.Single-crystal X-ray diffraction reveals that compound 1 crystallizes in monoclinic system,P21/n space group with a = 11.273（2）,b = 10.318（2）,c = 12.962（3） A,β = 99.03（3）°,V = 1489.0（5） A^3 and Z = 4;compound 2 crystallizes in monoclinic system,C2/c space group with a = 11.706（2）,b = 14.119（3）,c = 20.930（4） A,β = 103.84（3）°,V = 3358.8（12） A^3 and Z = 8.The thiouroniums of both compounds are Y-shaped planar structures to form a cross-conjugated system.The averaged bond lengths of C-N and C-S indicate the presence of ＂Y＂ aromaticity.The researches on UV-vis and luminescence spectra of compounds 1 and 2 indicate that they can form inclusion complex with β-CD in the aqueous solution.展开更多
基金the financial support of the National Natural Science Foundation of China(No.21101062,21271068,21203059)Educational Commission of Hubei Province(No.Q21021402)+1 种基金Chutian Scholar Fund of Hubei Province(No.4032401)National Training Programs of Innovation and Entrepreneurship for Undergraduates(No.201210500012)
文摘Two thiouronium iodide salts,（E）-2-methyl-1,3-diphenylisothiouronium iodide（1） and 1,3-dibenzyl-2-methylisothiouronium iodide（2）,were synthesized and characterized by single-crystal X-ray diffraction,1H NMR,IR,UV-vis and luminescence spectra.Single-crystal X-ray diffraction reveals that compound 1 crystallizes in monoclinic system,P21/n space group with a = 11.273（2）,b = 10.318（2）,c = 12.962（3） A,β = 99.03（3）°,V = 1489.0（5） A^3 and Z = 4;compound 2 crystallizes in monoclinic system,C2/c space group with a = 11.706（2）,b = 14.119（3）,c = 20.930（4） A,β = 103.84（3）°,V = 3358.8（12） A^3 and Z = 8.The thiouroniums of both compounds are Y-shaped planar structures to form a cross-conjugated system.The averaged bond lengths of C-N and C-S indicate the presence of ＂Y＂ aromaticity.The researches on UV-vis and luminescence spectra of compounds 1 and 2 indicate that they can form inclusion complex with β-CD in the aqueous solution.
