Based on our structural model and a tight-binding Hamiltonian the eIectronic structure has been calculated by use of a recursion method (RM) for two models of the tetragonal DO22 and the cubic Ll2 crystal structures i...Based on our structural model and a tight-binding Hamiltonian the eIectronic structure has been calculated by use of a recursion method (RM) for two models of the tetragonal DO22 and the cubic Ll2 crystal structures in Al3Ti+Cr for contrast, from which bonding characteristics have been discussed. The results for the interaction energy (IE) show that Cr prefers to replacing Al site. Cr partly replacing Al can change the IE between the atoms and make the constriction of lattice constant c and the elongation of lattice constant a for the DO22 and thereby may induce the change of crystal structure from DO22 to L12. The results for bond order integral (BOI) and IE between the atoms also show that the strong (110) directional Cr-Ti bondings are existed.Thus, Al3Ti-base intermetallic compounds with addition of the Cr atom still remain brittle.展开更多
The stability of the coordination compounds of the first transition series metal ions(Mn(Ⅱ),Co(Ⅱ),Ni(Ⅱ),Cu(Ⅱ)and Zn(Ⅱ))with 2-mercaptopyridine-1- oxide is reported.A coordination compound CoL_2 is synthesized and...The stability of the coordination compounds of the first transition series metal ions(Mn(Ⅱ),Co(Ⅱ),Ni(Ⅱ),Cu(Ⅱ)and Zn(Ⅱ))with 2-mercaptopyridine-1- oxide is reported.A coordination compound CoL_2 is synthesized and characterized for the first time.展开更多
Factor analysis is used to study the organic compounds that have high degree of correlation with biomass in algal blooming. Based on this correlation, they are named characteristic organic compounds. The compounds fou...Factor analysis is used to study the organic compounds that have high degree of correlation with biomass in algal blooming. Based on this correlation, they are named characteristic organic compounds. The compounds found are sequalene (SQU), cedrol (CED), 2, 5-cyclohexadiene-1, 4-dione, 2, 6-bis(1, 1-dimthylethyl ) (PBQ), phenol, 2, 6-bis (1, 1-dimethylethy-4-methyl) (BHT), 3-t-butyl-4- hydroxyanisole ( BHA ), 1, 2-benzenedicarboxylie acid, bis-( 2-methyl propyl ) ester (DIBP), dibutyl phthalate (DNBP), respectively. Monitoring the variations of concentration of these characteristic organic compounds in seawater may provide scientific basis for studying and forecasting red tides.展开更多
文摘Based on our structural model and a tight-binding Hamiltonian the eIectronic structure has been calculated by use of a recursion method (RM) for two models of the tetragonal DO22 and the cubic Ll2 crystal structures in Al3Ti+Cr for contrast, from which bonding characteristics have been discussed. The results for the interaction energy (IE) show that Cr prefers to replacing Al site. Cr partly replacing Al can change the IE between the atoms and make the constriction of lattice constant c and the elongation of lattice constant a for the DO22 and thereby may induce the change of crystal structure from DO22 to L12. The results for bond order integral (BOI) and IE between the atoms also show that the strong (110) directional Cr-Ti bondings are existed.Thus, Al3Ti-base intermetallic compounds with addition of the Cr atom still remain brittle.
文摘The stability of the coordination compounds of the first transition series metal ions(Mn(Ⅱ),Co(Ⅱ),Ni(Ⅱ),Cu(Ⅱ)and Zn(Ⅱ))with 2-mercaptopyridine-1- oxide is reported.A coordination compound CoL_2 is synthesized and characterized for the first time.
基金This work is supported by the National Natural Science Foundation of China (29977029).
文摘Factor analysis is used to study the organic compounds that have high degree of correlation with biomass in algal blooming. Based on this correlation, they are named characteristic organic compounds. The compounds found are sequalene (SQU), cedrol (CED), 2, 5-cyclohexadiene-1, 4-dione, 2, 6-bis(1, 1-dimthylethyl ) (PBQ), phenol, 2, 6-bis (1, 1-dimethylethy-4-methyl) (BHT), 3-t-butyl-4- hydroxyanisole ( BHA ), 1, 2-benzenedicarboxylie acid, bis-( 2-methyl propyl ) ester (DIBP), dibutyl phthalate (DNBP), respectively. Monitoring the variations of concentration of these characteristic organic compounds in seawater may provide scientific basis for studying and forecasting red tides.
