Molecular interactions of the ternary mixtures of 1-butyl-3-methylimidazolium chloride （[C4C1im]Cl）-water-2,6-dimethoxyphenol （2,6-DMP, a phenolic monomer lignin model compound） were investigated in comparison wit...Molecular interactions of the ternary mixtures of 1-butyl-3-methylimidazolium chloride （[C4C1im]Cl）-water-2,6-dimethoxyphenol （2,6-DMP, a phenolic monomer lignin model compound） were investigated in comparison with the [C4C1im]Cl-water binary systems through attenuated total reflection infrared spectroscopy. Results indicated that the microstructures of water and [C4C1im]Cl changed with varying mole fraction of [C4C1im]Cl （xIL） from 0.01 to 1.0. This change was mainly attributed to the interactions of [C4C1im]Cl-water and the self-aggregation of [C4C1im]Cl through hydrogen bonding. The band shifts of C-H on imidazolium ring and the functional groups in 2,6-DMP indicated that the occurrence of intermolecular interactions by different mechanisms （i.e., hydrogen bonding or π-π stacking） resulted in 2,6-DMP dissolution. In the case of xIL=0.12, the slightly hydrogen-bonded water was fully destroyed and [C4C1im]Cl existed in the form of hydrated ion pairs. Interestingly, the maximum 2,6-DMP solubility （238.5 g/100 g） was achieved in this case. The interactions and microstructures of [C4C1im]Cl-water mixtures influenced the dissolution behavior of 2,6-DMP.展开更多
Two novel coordination compounds,1[Zn4（L1）4（NO3）2（H2O）2]（NO3）2·2H2O and 2[Mn2（L2）2（DMF）（H2O）3]（ClO4）2·DMF（HL1 = N＇-[（1E）-pyridine-2-ylmethylidene]pyrazine-2-carbohydrazide,H2L2 = 2-hydrox...Two novel coordination compounds,1[Zn4（L1）4（NO3）2（H2O）2]（NO3）2·2H2O and 2[Mn2（L2）2（DMF）（H2O）3]（ClO4）2·DMF（HL1 = N＇-[（1E）-pyridine-2-ylmethylidene]pyrazine-2-carbohydrazide,H2L2 = 2-hydroxy-3-methoxybenzaldehyde（pyrazin-2-ylcarbonyl）hydrazone）,based on the N-N bridged ligands were prepared and structurally characterized.Compound 1represents the[2＊2]molecular squares,in which both N atoms belonging to the N-N bridged ligands are connected to the Zn centers.The emission of compound 1 exhibits a blue shift,which can be assigned to strong electrostatic interaction between Zn^Ⅱ ions and the L1^-1.Compound 2represents a rare phenol-O bridged Mn2^Ⅱ complex.The magnetic investigation indicates weak antiferromagnetic interactions between the Mn^Ⅱ centers.展开更多
基金This work was supported by the National Natural Science Foundation of China （No.21106011 and No.21276034） and the Program of Science and Technology of Liaoning Province （No.201602058）, and China Scholarship Council.
文摘Molecular interactions of the ternary mixtures of 1-butyl-3-methylimidazolium chloride （[C4C1im]Cl）-water-2,6-dimethoxyphenol （2,6-DMP, a phenolic monomer lignin model compound） were investigated in comparison with the [C4C1im]Cl-water binary systems through attenuated total reflection infrared spectroscopy. Results indicated that the microstructures of water and [C4C1im]Cl changed with varying mole fraction of [C4C1im]Cl （xIL） from 0.01 to 1.0. This change was mainly attributed to the interactions of [C4C1im]Cl-water and the self-aggregation of [C4C1im]Cl through hydrogen bonding. The band shifts of C-H on imidazolium ring and the functional groups in 2,6-DMP indicated that the occurrence of intermolecular interactions by different mechanisms （i.e., hydrogen bonding or π-π stacking） resulted in 2,6-DMP dissolution. In the case of xIL=0.12, the slightly hydrogen-bonded water was fully destroyed and [C4C1im]Cl existed in the form of hydrated ion pairs. Interestingly, the maximum 2,6-DMP solubility （238.5 g/100 g） was achieved in this case. The interactions and microstructures of [C4C1im]Cl-water mixtures influenced the dissolution behavior of 2,6-DMP.
基金supported by the National Basic Research Program of China(973 Program2012CB821702)+1 种基金the National Natural Science Foundation of China(21233009 and 21173221)the State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences
文摘Two novel coordination compounds,1[Zn4（L1）4（NO3）2（H2O）2]（NO3）2·2H2O and 2[Mn2（L2）2（DMF）（H2O）3]（ClO4）2·DMF（HL1 = N＇-[（1E）-pyridine-2-ylmethylidene]pyrazine-2-carbohydrazide,H2L2 = 2-hydroxy-3-methoxybenzaldehyde（pyrazin-2-ylcarbonyl）hydrazone）,based on the N-N bridged ligands were prepared and structurally characterized.Compound 1represents the[2＊2]molecular squares,in which both N atoms belonging to the N-N bridged ligands are connected to the Zn centers.The emission of compound 1 exhibits a blue shift,which can be assigned to strong electrostatic interaction between Zn^Ⅱ ions and the L1^-1.Compound 2represents a rare phenol-O bridged Mn2^Ⅱ complex.The magnetic investigation indicates weak antiferromagnetic interactions between the Mn^Ⅱ centers.
