The new room-temperature molten salt was prepared based on LiTFSI[LiNC(SO 2CF 3) 2] with OZO(C 3H 5NO 2) which were not reported in literature. Its thermal and electrochemical properties were studied by differential s...The new room-temperature molten salt was prepared based on LiTFSI[LiNC(SO 2CF 3) 2] with OZO(C 3H 5NO 2) which were not reported in literature. Its thermal and electrochemical properties were studied by differential scanning calorimetry, ac impedance spectroscopy and cyclic voltammertry respectively. The results indicated that the structure symmetry of the molecule was depressed and the extent of charges delocalization was expanded, because of introducing oxygen atom of differential electronegativity in OZO molecule. DSC analysis showed that the LiTFSI-OZO molten salt has the excellent thermal stability and its eutectic temperature is below about 223.15 K. Meanwhile, the conductivity of LiTFSI-OZO molten salt at a molar ratio of 1∶4.5 is 0.75×10 -3 S/cm at 298.15 K and 3.50×10 -3 S/cm at 333.15 K. CV analysis showed that the electrochemical window of the sample is about 4 V.展开更多
Semiempirical molecular orbital calculations on the unimolecular massspectrometric fragmentation of tetrahydroimidazole-substituted methylene β-diketones are carried outby Austin Model 1 method, and the calculated re...Semiempirical molecular orbital calculations on the unimolecular massspectrometric fragmentation of tetrahydroimidazole-substituted methylene β-diketones are carried outby Austin Model 1 method, and the calculated results give a strong support to ourexperimental results reported previously. The optimum of the investigated molecular configurationindicates that the two hydrogen atoms attached to nitrogen atom have different activities dueto their chemical environment; the relative energies of the ions in fragmentation pathway ofionized tetrahydroimidazole-substituted methylene β-diketones provide indirectly an evidencefor both the existence of ion/neutral complex and the stabilities of these ions.展开更多
文摘The new room-temperature molten salt was prepared based on LiTFSI[LiNC(SO 2CF 3) 2] with OZO(C 3H 5NO 2) which were not reported in literature. Its thermal and electrochemical properties were studied by differential scanning calorimetry, ac impedance spectroscopy and cyclic voltammertry respectively. The results indicated that the structure symmetry of the molecule was depressed and the extent of charges delocalization was expanded, because of introducing oxygen atom of differential electronegativity in OZO molecule. DSC analysis showed that the LiTFSI-OZO molten salt has the excellent thermal stability and its eutectic temperature is below about 223.15 K. Meanwhile, the conductivity of LiTFSI-OZO molten salt at a molar ratio of 1∶4.5 is 0.75×10 -3 S/cm at 298.15 K and 3.50×10 -3 S/cm at 333.15 K. CV analysis showed that the electrochemical window of the sample is about 4 V.
文摘Semiempirical molecular orbital calculations on the unimolecular massspectrometric fragmentation of tetrahydroimidazole-substituted methylene β-diketones are carried outby Austin Model 1 method, and the calculated results give a strong support to ourexperimental results reported previously. The optimum of the investigated molecular configurationindicates that the two hydrogen atoms attached to nitrogen atom have different activities dueto their chemical environment; the relative energies of the ions in fragmentation pathway ofionized tetrahydroimidazole-substituted methylene β-diketones provide indirectly an evidencefor both the existence of ion/neutral complex and the stabilities of these ions.
