The polymerization of acrylonitrile was first studied using （C9H7）2Y（μ-Et）2AlEt2 as a single-component catalyst. The catalytic activity could be greatly increased when PhONa was added to the catalyst in amount o...The polymerization of acrylonitrile was first studied using （C9H7）2Y（μ-Et）2AlEt2 as a single-component catalyst. The catalytic activity could be greatly increased when PhONa was added to the catalyst in amount of n（PhONa）/n（Cat）=3. A mechanism related to the polymerization initiation of AN is proposed.展开更多
The electronic absorption spectroscopy of the model complexes[RuCl（CO）（PH3）3]2（μ-CH=CH-CH=CH）-（CH=CH）n（n=2,3） have been investigated by using time-dependent density functional theory（TDDFT）.The solvent ef...The electronic absorption spectroscopy of the model complexes[RuCl（CO）（PH3）3]2（μ-CH=CH-CH=CH）-（CH=CH）n（n=2,3） have been investigated by using time-dependent density functional theory（TDDFT）.The solvent effects of CH2Cl2 were taken into account by using the conductor-like solvent model（COSMO（CPCM））.When the hybrid basis sets method（Lanl2DZ（f） basis sets for Ru,and 6-31G（d） basis sets for other atoms） were adopted,a satisfactory assignment of the experimental absorption spectra have been achieved.The present calculation results show that the three main experimental absorption peaks are characterized as the charge transfer from metal to ligands（MLCT）,which well agree with the experimental founding by Gladysz and Bruce.展开更多
Two cyano\|bridged complexes {\\-2\[Fe(CN)\-6\]}\-∞(L=NH\-2CH\-2CH\-2CH\-2OH(ampt)(1),NH\-2CH\-2CH(CH\-3)OH(amtt)(2)) and cyanobridged Ni\+Ⅱ\-6Fe\+Ⅱ cluster \[Fe(CN—Ni(tetren))\-6\](ClO\-4)\-8(tetren)(3) were synt...Two cyano\|bridged complexes {\\-2\[Fe(CN)\-6\]}\-∞(L=NH\-2CH\-2CH\-2CH\-2OH(ampt)(1),NH\-2CH\-2CH(CH\-3)OH(amtt)(2)) and cyanobridged Ni\+Ⅱ\-6Fe\+Ⅱ cluster \[Fe(CN—Ni(tetren))\-6\](ClO\-4)\-8(tetren)(3) were synthesized,and have been characterized by elemental analysis and IR spectrum.The experimental results show that the oxide state of Fe is changed from Fe\+Ⅲ to Fe\+Ⅱ after the synthesis reaction.The magnetization versus T and magnetic susceptibility of (2) were measured and showed that the interaction between Cu\+Ⅱ ions separated by diamagnetic low spin Fe\+Ⅱ is weak antiferromagnetic.展开更多
文摘The polymerization of acrylonitrile was first studied using （C9H7）2Y（μ-Et）2AlEt2 as a single-component catalyst. The catalytic activity could be greatly increased when PhONa was added to the catalyst in amount of n（PhONa）/n（Cat）=3. A mechanism related to the polymerization initiation of AN is proposed.
文摘The electronic absorption spectroscopy of the model complexes[RuCl（CO）（PH3）3]2（μ-CH=CH-CH=CH）-（CH=CH）n（n=2,3） have been investigated by using time-dependent density functional theory（TDDFT）.The solvent effects of CH2Cl2 were taken into account by using the conductor-like solvent model（COSMO（CPCM））.When the hybrid basis sets method（Lanl2DZ（f） basis sets for Ru,and 6-31G（d） basis sets for other atoms） were adopted,a satisfactory assignment of the experimental absorption spectra have been achieved.The present calculation results show that the three main experimental absorption peaks are characterized as the charge transfer from metal to ligands（MLCT）,which well agree with the experimental founding by Gladysz and Bruce.
文摘Two cyano\|bridged complexes {\\-2\[Fe(CN)\-6\]}\-∞(L=NH\-2CH\-2CH\-2CH\-2OH(ampt)(1),NH\-2CH\-2CH(CH\-3)OH(amtt)(2)) and cyanobridged Ni\+Ⅱ\-6Fe\+Ⅱ cluster \[Fe(CN—Ni(tetren))\-6\](ClO\-4)\-8(tetren)(3) were synthesized,and have been characterized by elemental analysis and IR spectrum.The experimental results show that the oxide state of Fe is changed from Fe\+Ⅲ to Fe\+Ⅱ after the synthesis reaction.The magnetization versus T and magnetic susceptibility of (2) were measured and showed that the interaction between Cu\+Ⅱ ions separated by diamagnetic low spin Fe\+Ⅱ is weak antiferromagnetic.
