The crystal structure of the title complex salt has been determined by single-crystal X-ray structure analysis. The crystal data are as follows; Monoclinic, P21/c, a=15.6480(10)A,b=16.7870(10)A, c=10.347(2)A, β=90.79...The crystal structure of the title complex salt has been determined by single-crystal X-ray structure analysis. The crystal data are as follows; Monoclinic, P21/c, a=15.6480(10)A,b=16.7870(10)A, c=10.347(2)A, β=90.790(10), V=2717.7(6)A3, Z=3, and R=0.0333 for 4789 unique reflections. The complex anion has a pseudo-octahedral structure distorted more than the CrⅢand CoⅢ analogs, in which cach iminodiacetato ligand (ida2-) is coordinated in a facial fashion with the two N atoms in a cis configuration, resulting in an unsyin-fac structure.展开更多
The formation and the presence of hypervalent Si in the electron donor-acceptor com- plex H_3N·SiH_3 Cl have been investigated by ab initio calculation. The results show that there is a 0.707eV decrease of energy...The formation and the presence of hypervalent Si in the electron donor-acceptor com- plex H_3N·SiH_3 Cl have been investigated by ab initio calculation. The results show that there is a 0.707eV decrease of energy when the complex H_3N.SiH_3 Cl is formed from NH_3 and H_3SiCl, the interaction potential between the donor NH_3 and the acceptor H_3SiCl belongs to the Morse type, and the bond angle A(H-Si-Cl) versus bond length d(N-Si) presents a linear relation. The results also show that the interaction is mainly from giving the lone pair electrons in HOMO of NH_3 to LUMO of H_3SiCl, in which the 2P_z of N and the 3d_0 of Si play important role. Bond N-Si is a weak n-σ*type dative one.展开更多
Four novel mononuclear ruthenium(II) complexes [Ru-(dmb) 2L] 2+ [dmb=4,4′-dimethyl-2,2′-bipyridine, L=imid-azo-[4,5-f]phenanthroline (IP), 2-phenylimidazo-phenanthroline (PIP), 2-(4′-hydroxyphenyl)imidazo-phe...Four novel mononuclear ruthenium(II) complexes [Ru-(dmb) 2L] 2+ [dmb=4,4′-dimethyl-2,2′-bipyridine, L=imid-azo-[4,5-f]phenanthroline (IP), 2-phenylimidazo-phenanthroline (PIP), 2-(4′-hydroxyphenyl)imidazo-phenanthroline (HOP), 2-(4′-dimethylami- nophenyl)imidazo-phenanthroline (DMNP)] were synthesized and characterized by ES-MS, 1H NMR, UV-vis and electrochemistry. The nonlinear optical properties of the ruthenium(II) complexes were investigated by Z-scan techniques with 12 ns laser pulse at 540 nm, and all of them exhibit both nonlinear optical (NLO) absorption and self-defocusing effect. The corresponding effective NLO susceptibility |χ 3| of the complexes is in the range of 2.68×10 -12-4.57×10 -12 esu.展开更多
文摘The crystal structure of the title complex salt has been determined by single-crystal X-ray structure analysis. The crystal data are as follows; Monoclinic, P21/c, a=15.6480(10)A,b=16.7870(10)A, c=10.347(2)A, β=90.790(10), V=2717.7(6)A3, Z=3, and R=0.0333 for 4789 unique reflections. The complex anion has a pseudo-octahedral structure distorted more than the CrⅢand CoⅢ analogs, in which cach iminodiacetato ligand (ida2-) is coordinated in a facial fashion with the two N atoms in a cis configuration, resulting in an unsyin-fac structure.
文摘The formation and the presence of hypervalent Si in the electron donor-acceptor com- plex H_3N·SiH_3 Cl have been investigated by ab initio calculation. The results show that there is a 0.707eV decrease of energy when the complex H_3N.SiH_3 Cl is formed from NH_3 and H_3SiCl, the interaction potential between the donor NH_3 and the acceptor H_3SiCl belongs to the Morse type, and the bond angle A(H-Si-Cl) versus bond length d(N-Si) presents a linear relation. The results also show that the interaction is mainly from giving the lone pair electrons in HOMO of NH_3 to LUMO of H_3SiCl, in which the 2P_z of N and the 3d_0 of Si play important role. Bond N-Si is a weak n-σ*type dative one.
文摘Four novel mononuclear ruthenium(II) complexes [Ru-(dmb) 2L] 2+ [dmb=4,4′-dimethyl-2,2′-bipyridine, L=imid-azo-[4,5-f]phenanthroline (IP), 2-phenylimidazo-phenanthroline (PIP), 2-(4′-hydroxyphenyl)imidazo-phenanthroline (HOP), 2-(4′-dimethylami- nophenyl)imidazo-phenanthroline (DMNP)] were synthesized and characterized by ES-MS, 1H NMR, UV-vis and electrochemistry. The nonlinear optical properties of the ruthenium(II) complexes were investigated by Z-scan techniques with 12 ns laser pulse at 540 nm, and all of them exhibit both nonlinear optical (NLO) absorption and self-defocusing effect. The corresponding effective NLO susceptibility |χ 3| of the complexes is in the range of 2.68×10 -12-4.57×10 -12 esu.
