Two oxo-vanadium（IV） complexes, [VO（C2O4）（2,2′-bipy）（H2O）]·C2H5OH（1） and VO（C2O4）（phen）（H2O） （2）, where 2,2′-bipy=2,2′-bipyridyl, phen=1,10-phenanthroline, were synthesized as potential funct...Two oxo-vanadium（IV） complexes, [VO（C2O4）（2,2′-bipy）（H2O）]·C2H5OH（1） and VO（C2O4）（phen）（H2O） （2）, where 2,2′-bipy=2,2′-bipyridyl, phen=1,10-phenanthroline, were synthesized as potential functional models of vanadium haloperoxidases（VHPOs） in mixed solvent of ethanol and water at room temperature. The complexes were characterized by elemental analysis, infrared（IR）, UV-Vis and X-ray crystallography. Structural analyses showed that vanadium atom was coordinated by a terminal oxygen, one oxygen atom from coordinated water, two oxygen atoms from the carboxylate group of oxalic acid, and two nitrogen atoms（N1 and N2） from 2,2′-bipy/phen. Central vanadium atoms in complexes 1 and 2 were both in a distorted-octahedral environment, and some intermolecular hydrogen bonding linkages were also observed in each complex. Bromination reaction activity of the two complexes was evaluated with phenol red as organic substrate in the presence of H2O2, Br-and phosphate buffer, indicating that they can be considered as a potential functional model of VHPO. In addition, thermal analysis was also performed and discussed in detail.展开更多
The new self-assembly tripodal hexadentate Schiff base compound, C27H30N4O3, derived from tris（2-aminoethyl）amine（tren） with salicylaldehyde and its manganese（Ⅲ） complex [（C27H27N403）Mn].CH3OH（1） were desig...The new self-assembly tripodal hexadentate Schiff base compound, C27H30N4O3, derived from tris（2-aminoethyl）amine（tren） with salicylaldehyde and its manganese（Ⅲ） complex [（C27H27N403）Mn].CH3OH（1） were designed and synthesized by original self-assembly reaction at room temperature in the solution of methanol. Both the compounds were characterized by elemental analysis, IR spectrometry, UV-Vis spectroscopy and X-ray single crystal diffraction. It is noteworthy that the tripodal hexadentate Schiff base ligand effectively encapsulates the manganese（Ⅲ） ion and enforces a six-coordinate geometry in complex 1 with the apical nitrogen atom of tren-Schiff base remaining unbound to the metal. It is found that there are several intra-molecular hydrogen bonds in them（C-H…O and O-H…N）. In addition, quantum chemistry calculations were also performed and discussed in detail. These results are consistent with the structural analyses of them.展开更多
Three small organic molecular co-crystal compounds （C3N6H6）·（C6H10O4）·H2O（I）, C3HsN2O（3） and （H4btec）2.（4,4＇-bipy）（4）（H4btec=1,2,4,5-benzenetetracarboxylic acid, 4,4＇-bipy=4,4＇-bipyridine）...Three small organic molecular co-crystal compounds （C3N6H6）·（C6H10O4）·H2O（I）, C3HsN2O（3） and （H4btec）2.（4,4＇-bipy）（4）（H4btec=1,2,4,5-benzenetetracarboxylic acid, 4,4＇-bipy=4,4＇-bipyridine） and one coordination supramolecular compound [Mn（CEO4）（HEO）E]＇C6HllNO2（2） were synthesized by hydrothermal reaction. They were characterized by elemental analysis, infrared（IR） spectroscopy and single crystal X-ray diffraction（XRD）. Structural analyses reveal that these 2D or 3D supramolecular networks of the compounds were formed by C--H…O, N--H…O, N--H…N, O--H…O and O-H…N hydrogen bonds. Therein, the functional groups of--COOH, --NH2 and --OH play important roles in constructing supramolecular architectures.展开更多
基金Supported by the National Natural Science Foundation of China(No.21071071)the Education Foundation of Dalian City in China(No.2009J21DW004)
文摘Two oxo-vanadium（IV） complexes, [VO（C2O4）（2,2′-bipy）（H2O）]·C2H5OH（1） and VO（C2O4）（phen）（H2O） （2）, where 2,2′-bipy=2,2′-bipyridyl, phen=1,10-phenanthroline, were synthesized as potential functional models of vanadium haloperoxidases（VHPOs） in mixed solvent of ethanol and water at room temperature. The complexes were characterized by elemental analysis, infrared（IR）, UV-Vis and X-ray crystallography. Structural analyses showed that vanadium atom was coordinated by a terminal oxygen, one oxygen atom from coordinated water, two oxygen atoms from the carboxylate group of oxalic acid, and two nitrogen atoms（N1 and N2） from 2,2′-bipy/phen. Central vanadium atoms in complexes 1 and 2 were both in a distorted-octahedral environment, and some intermolecular hydrogen bonding linkages were also observed in each complex. Bromination reaction activity of the two complexes was evaluated with phenol red as organic substrate in the presence of H2O2, Br-and phosphate buffer, indicating that they can be considered as a potential functional model of VHPO. In addition, thermal analysis was also performed and discussed in detail.
基金Supported by the National Natural Science Foundation of China(No.20771051)the Education Foundation of Liaoning Province, China(No.2007T093)
文摘The new self-assembly tripodal hexadentate Schiff base compound, C27H30N4O3, derived from tris（2-aminoethyl）amine（tren） with salicylaldehyde and its manganese（Ⅲ） complex [（C27H27N403）Mn].CH3OH（1） were designed and synthesized by original self-assembly reaction at room temperature in the solution of methanol. Both the compounds were characterized by elemental analysis, IR spectrometry, UV-Vis spectroscopy and X-ray single crystal diffraction. It is noteworthy that the tripodal hexadentate Schiff base ligand effectively encapsulates the manganese（Ⅲ） ion and enforces a six-coordinate geometry in complex 1 with the apical nitrogen atom of tren-Schiff base remaining unbound to the metal. It is found that there are several intra-molecular hydrogen bonds in them（C-H…O and O-H…N）. In addition, quantum chemistry calculations were also performed and discussed in detail. These results are consistent with the structural analyses of them.
基金Supported by the National Natural Science Foundation of China（No.21071071） and the Doctor Starting Foundation of Liaoning Province of China（No.20111067）.
文摘Three small organic molecular co-crystal compounds （C3N6H6）·（C6H10O4）·H2O（I）, C3HsN2O（3） and （H4btec）2.（4,4＇-bipy）（4）（H4btec=1,2,4,5-benzenetetracarboxylic acid, 4,4＇-bipy=4,4＇-bipyridine） and one coordination supramolecular compound [Mn（CEO4）（HEO）E]＇C6HllNO2（2） were synthesized by hydrothermal reaction. They were characterized by elemental analysis, infrared（IR） spectroscopy and single crystal X-ray diffraction（XRD）. Structural analyses reveal that these 2D or 3D supramolecular networks of the compounds were formed by C--H…O, N--H…O, N--H…N, O--H…O and O-H…N hydrogen bonds. Therein, the functional groups of--COOH, --NH2 and --OH play important roles in constructing supramolecular architectures.
