In this paper, the Sb2O3 nanoparticles prepared with SbCl3 by the alky hydrolysis, processed with the surfactants, were assembled on mica substrates. The morphology and the assembled behavior of the nano-Sb2O3 on the ...In this paper, the Sb2O3 nanoparticles prepared with SbCl3 by the alky hydrolysis, processed with the surfactants, were assembled on mica substrates. The morphology and the assembled behavior of the nano-Sb2O3 on the mica were analyzed by means of TEM. The flame retardant properties of nano-Sb2O3 and Sb2O3/mica complex were studied by combustion test and thermal analysis. The results show that the Sb2O3 nanoparticles are assembled uniformly on the mica substrates. The nano-Sb2O3 was characterized with small size, narrow size distribution, uniform crystal and monodispersed particles. Compared with nano-Sb2O3, the Sb2O3/mica complexes have been achieved the same coordinated effects with Chlorinated Paraffin(CP) and excellent flame retardant properties.展开更多
Short chain chlorinated paraffins （SCCPs） are not only research focus of environmental issues but also interesting model mol- ecules for organic chemistry which exhibit diverse conformation preference and intramolec...Short chain chlorinated paraffins （SCCPs） are not only research focus of environmental issues but also interesting model mol- ecules for organic chemistry which exhibit diverse conformation preference and intramolecular noncovalent interactions （NCIs）. A systematic study was conducted to reveal the conlk）rmation preference and the related intramolecular NCIs in two C^-isomers of SCCPs, 5,5,6,6-tetrachlorodecane and 4,4,6,6-1etrachlorodecane. The overall conformation profile was deter- mined on the basis of relative energies calculated at the MP2/6-311＋＋G（d,p） level with the geometries optimized by B3LYP/6-31 l＋＋G（d,p） method. Then, quantum theory of atoms in molecules （QTAIM） has been adopted to identify the NCls in the selected conformers of the model molecules at both B31~YP/6-31 l＋＋G（d,p） and M06-2X/aug-cc-pvdz level. Different chlorine substitution modes result in varied conformation preference. No obvious gauche effect can be observed tk）r the SCCPs with chlorination on adjacent carbon atoms. The most stable conformer of 5,5,6,6-tetrachlorodecane （tTt） has its three dihedral angles in the T configuration, and there is no intramolecular N（3s found in this molecule. On the contrary, the chlorination on interval carbon atoms favors the adoption of gauche configmation for the H C C CI axis. Not only inlramolecular H-..CI contacts but also H---H interactions have been identified as driving forces to compensate the instability from steric crowding ot the gauche configuration. The gggg and g＇g＇g＇g＇ conformers are the most popular ones, while the populations of tggg and tg＇g＇g＇ conformer are second to those of the gggg and g＇g＇g＇g＇ conformers. Meanwhile, the M06-2X method with large basis sets is preferred for identification of subtle intramolecular NCIs in large molecules like SCCPs.展开更多
基金Project 50574092 supported by National Natural Science Foundation of China OH 4508 Supported by Science Foundation of China University of Mining &Technology
文摘In this paper, the Sb2O3 nanoparticles prepared with SbCl3 by the alky hydrolysis, processed with the surfactants, were assembled on mica substrates. The morphology and the assembled behavior of the nano-Sb2O3 on the mica were analyzed by means of TEM. The flame retardant properties of nano-Sb2O3 and Sb2O3/mica complex were studied by combustion test and thermal analysis. The results show that the Sb2O3 nanoparticles are assembled uniformly on the mica substrates. The nano-Sb2O3 was characterized with small size, narrow size distribution, uniform crystal and monodispersed particles. Compared with nano-Sb2O3, the Sb2O3/mica complexes have been achieved the same coordinated effects with Chlorinated Paraffin(CP) and excellent flame retardant properties.
基金the Chinese Academy of Sciences (KZCX2-YW-BR-25, XDB14030500, YSW2013B01)the National High Technology Research and Development Program of China (2013AA065201)
文摘Short chain chlorinated paraffins （SCCPs） are not only research focus of environmental issues but also interesting model mol- ecules for organic chemistry which exhibit diverse conformation preference and intramolecular noncovalent interactions （NCIs）. A systematic study was conducted to reveal the conlk）rmation preference and the related intramolecular NCIs in two C^-isomers of SCCPs, 5,5,6,6-tetrachlorodecane and 4,4,6,6-1etrachlorodecane. The overall conformation profile was deter- mined on the basis of relative energies calculated at the MP2/6-311＋＋G（d,p） level with the geometries optimized by B3LYP/6-31 l＋＋G（d,p） method. Then, quantum theory of atoms in molecules （QTAIM） has been adopted to identify the NCls in the selected conformers of the model molecules at both B31~YP/6-31 l＋＋G（d,p） and M06-2X/aug-cc-pvdz level. Different chlorine substitution modes result in varied conformation preference. No obvious gauche effect can be observed tk）r the SCCPs with chlorination on adjacent carbon atoms. The most stable conformer of 5,5,6,6-tetrachlorodecane （tTt） has its three dihedral angles in the T configuration, and there is no intramolecular N（3s found in this molecule. On the contrary, the chlorination on interval carbon atoms favors the adoption of gauche configmation for the H C C CI axis. Not only inlramolecular H-..CI contacts but also H---H interactions have been identified as driving forces to compensate the instability from steric crowding ot the gauche configuration. The gggg and g＇g＇g＇g＇ conformers are the most popular ones, while the populations of tggg and tg＇g＇g＇ conformer are second to those of the gggg and g＇g＇g＇g＇ conformers. Meanwhile, the M06-2X method with large basis sets is preferred for identification of subtle intramolecular NCIs in large molecules like SCCPs.
