Zhengjing Jiang

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Vibrational and electronic spectral measurements were made for 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one (pymetrozine). Optimized geometrical structure and harmonic vibrational frequencies were computed by ab initio RHF, B-based DFT methods (BLYP, BP86 and BPW91) and B3-based DFT methods (B3LYP, B3P86 and B3PW91) using(More)
The title compound, [Cu(6)V(2)O(2)S(6)(C(6)H(8)N(2))(6)], is constructed from six CuS(3)N and two VOS(3) distorted tetra-hedra, forming an octa-nuclear V/S/Cu cluster with C(i) symmetry. The geometry around the V atoms is slightly distorted tetra-hedral, while there are large distortions from ideal tetra-hedral geometry for the Cu atoms. Adjacent(More)
The title compound, {[Pr(C(2)H(6)OS)(8)](2)[Mo(6)Ag(6)S(24)]}(n), contains polymeric Mo(6)S(24)Ag(6) (2-) anions and [Pr(Me(2)SO)(8)](3+) cations, forming a one-dimensional polymeric Mo/S/Ag cluster. The anion assumes the conformation of a zigzag chain. The trivalent cations are arrayed amongst the anionic chains and are well separated from each other. Each(More)
In the title compound, hexa-μ(2)-bromido-μ(4)-oxo-tetra-kis{[3-(1-methyl-2-pyrrolidin-yl)pyridine-κN]copper(II)}, [Cu(4)Br(6)O(C(10)H(14)N(2))(4)], the four Cu atoms are tetra-hedrally arranged around the O atom at the cluster center. The Cu and coordinated N atoms lie along directions which correspond to four of the eight threefold axial directions of a(More)
The vibrational spectra of aluminum halides, AlX(3) (X=F, Cl, Br and I) and their dimers, Al(2)X(6), have been systematically investigated by ab initio restricted Hartree-Fock (RHF) and density functional B3LYP and B3P86 methods with LanL2DZ, SDD, CEP-31G and DGDZVP basis sets. The optimized geometries, calculated vibrational frequencies were evaluated via(More)
In the title polymeric complex, [HgBr(2)(C(10)H(14)N(2))](n), each nicotine mol-ecule is bonded to two adjacent Hg atoms, one through the pyrrolidine N atom and the other through the pyridine N atom, forming zigzag chains along [010]. The coordination around mercury is completed by two bromido ligands resulting in a distorted tetra-hedral arrangement.
The title polymeric complex, [HgI(2)(C(10)H(14)N(2))](n), was prepared from a solution of nicotine, mercury(II) iodide and 4-cyano-pyridine in dimethyl-formamide. Each nicotine mol-ecule is bonded to two Hg atoms, one through the pyrrolidine N atom and the other through the pyridine N atom, forming infinite zigzag polymeric chains. The coordin-ation around(More)
The reaction of cobalt(II) nitrate with 5-amino-2,4,6-tri-iodo-isophthalic acid (ATPA) in pyridine solution leads to the formation of the title compound, {[Co(C(8)H(2)I(3)NO(4))(C(5)H(5)N)(3)(H(2)O)]·C(5)H(5)N}(n). The Co(2+) ion is six-coordinated by three N atoms, one water O atom and two O atoms from two ATPA ligands to form a distorted octa-hedral(More)
The vibrational spectra of MM'2X8(2-) and trans-MM'2S6O2(2-) (M = Ni(II), Pd(II), Pt(II); M' = Mo, W; X = O, S) are calculated using ab initio method at RHF/LanL2DZ level. The calculated vibrational frequencies of MM'2S8(2-) and trans-MM'2O2S6(2-) are evaluated via comparison with experimental data. The results obtained by this method have the deviation <5%(More)