期刊：
Inorganic and Nano-Metal Chemistry,1996年26(6):955-966 ISSN：2470-1556
通讯作者：
Zhu, XD
作者机构：
[Zhu, XD; Wang, CG; Lu, ZP; Le, ZF; Wu, ZS] Department of Chemistry , Huazhong Normal University , Wuhan, 430070, Hubei, P. R. China
通讯机构：
[Zhu, XD] H;HUAZHONG NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.
摘要：
Abstract The Schiff base N,N′-bis(salicylidene)thiourea and its complexes of copper(II), nickel(II) and zinc(II) have been synthesized and characterized by elemental analyses, molar conductivity measurements, thermal analyses, infrared and electronic spectral data. The Schiff base ligand has been further identified by 1H NMR and mass spectra. The results suggest that the Schiff base behaves as a quadridentate ligand attached to the metal ion through the phenol oxygen and imino nitrogen atoms. The biological activities of these compounds to scavenge superoxide free radicals and poison Oncomelania hupensis (a kind of an intermediate host of blood fluke) are also reported.
会议主办单位：
CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430072,PEOPLES R CHINA.
关键词：
Aerobacter aerogenes;kinetics;microcalorimetry;multiplication rate constant;Schiff base
摘要：
Microcalorimetry was used to study the kinetics of action of five kinds of Schiff base on a strain of Aerobacter aerogenes. Differences in their capacities to suppress the metabolism of this bacterium were observed. The extent and duration of the inhibitory effect on the metabolism as judged from the multiplication rate constant, k, varied with the different Schiff bases. The multiplication rate constants, k, of Aerobacter aerogenes (in log phase) in the presence of Co(III)-NG and Ni-NG (NG: D-glucosamine-beta-naphthol aldehyde) decreased with the increasing concentrations of the compounds C, but the relationship between k and C was not of good linearity. For Fe(III)-NG, the multiplication rate constants are constant irrespective of variations in concentration. Similarly over the concentration range 50-200 mu g mL(-1,) there is nearly change in the inhibitory effects of NG on Aerobacter aerogenes, while they are slightly reduced beyond 200 mu g mL(-1). The experimental results revealed that the sequence of antibiotic activity of Schiff base drugs is: Co(III)-NG > Ni-NG > NG > Fe(III)-NG.
关键词：
AB INITIO CALCULATIONS;ELECTRON DETACHMENT;FRAGMENTATION;ATOMIC CLUSTERS;GROUND STATES;POLARIZATION;ELECTRON CORRELATION;CARBON;NITROGEN
摘要：
In a recently published report on the time-of-flight mass spectrometry studies and ab initio RHF/3-21G calculations of the CnN- clusters (n=1 to 13), Wang, Huang, Liu, and Zhang claimed that all the CnN- clusters (n=1 to 13) should be linear chains. In the present work, we report the new results obtained from series of ab initio calculations on the ground states of the CnN- cluster anions. The results calculated at different approximation levels reveal that the geometries of the CnN- determined at the levels without using the polarization functions is qualitatively incorrect, and that the diffuse functions of the two atoms at the two end points of the (CN-)-N-n chains and the higher-order electron correlation are important in evaluating the vertical electron detachment energies (VDEs) of the CnN- anions. It is concluded from the calculated results that for the singlet ground states, only the linear structures of CN-, C2N-, C3N-, and C5N- are stable, and the linear structures of the other CnN- (n=4 and 6 to 13) are not at the local minima on the potential energy surfaces. The VDEs and fragmentation energies of CnN- (n=1 to 7) in their ground states are evaluated with the MP4SDTQ method at the MP2 geometry using 6-31G(d) except for two end atoms of each chain, to which a set of diffuse sp functions are augmented. The fragmentation energies are also evaluated with the QCISD(T) method using the same basis to verify the convergence of the perturbational results. The calculated VDEs and fragmentation energies all show that the CnN- clusters with odd n are more stable than those with even n, which is consistent with the observed even-odd alteration of the TOF signal intensities. (C) 1996 American Institute of Physics.
摘要：
Dialkyl 1-trimethylsilyloxy allylphosphonates (3a-3f) were synthesized by a one-pot reaction of trialkyl phosphite (1), carbonyl compounds (2) and trimethylchlorosilane. The procedure was carried out under very mild conditions and was very easy to conduct. The structures of (3) were confirmed by IR, 1HNMR, 31P NMR and MS.
期刊：
Chemical Physics Letters,1996年262(5):643-648 ISSN：0009-2614
通讯作者：
Zhao, X.
作者机构：
OKAZAKI NATL RES INST,INST MOL SCI,OKAZAKI,AICHI 444,JAPAN.;OSAKA UNIV,INST SCI & IND RES,IBARAKI,OSAKA 567,JAPAN.;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.;[Zhao, XJ; Kitagawa, T; Mizutani, Y] Institute for Molecular Science, Okazaki Natl. Research Institutes, Myodaiji, Okazaki 444, Japan;[Zhan, CG] Institute for Molecular Science, Okazaki Natl. Research Institutes, Myodaiji, Okazaki 444, Japan, Department of Chemistry, Central China Normal University, Wuhan 430070, China
通讯机构：
[Zhao, X.] I;Institute for Molecular Science, Okazaki Natl. Research Institutes, 8-1 Mihoga-oka, Japan
摘要：
Ultraviolet resonance Raman (UVRR) spectra excited at 245 and 325 nm are reported for 1,4-benzoquinone and its 18O2 and d4 isotopomers. Depolarization ratios were determined for non-resonance Raman spectra excited at 647 and 441.6 nm and solvent effects were examined for the UVRR spectra. The UVRR bands at 1665 and 1639 cm-1, the latter of which exhibited a much larger 18O2 isotopic frequency shift than the former, are reassigned to ν2 (in-phase C=O/C=C stretches) and ν3 (out-of-phase C=O/C=C stretches), respectively, on the basis of the observed 18O2 and d4 isotope frequency shifts and unscaled ab initio vibrational analyses with the MP2 method using an extended basis set.
期刊：
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS,1996年116(1):211-216 ISSN：1042-6507
通讯作者：
Huang, W.
作者机构：
CENT CHINA NORMAL UNIV,INST ORGAN SYNTH,WUHAN 430070,PEOPLES R CHINA.;CENT CHINA NORMAL UNIV,CTR ANAL & TESTING,WUHAN 430070,PEOPLES R CHINA.;[Xiao, WJ; Tang, ZL; Ding, MW; Huang, WF] Institute of Organic Synthesis, Central China Normal University , 430070 , Wuhan , China;[Wu, TJ] Center of Analysis and Testing, Central China Normal University , 430070 , Wuhan , China
通讯机构：
Institute of Organic Synthesis, Central China Normal University, China
摘要：
1,2 and 1,3 bis-ylides derived from corresponding bis-phosphonium salts reacted with substituted benzaldehydes to give 19 dienes with E,E-selectivity.
作者机构：
[Guanghan L.; Yiping H.; Jianhua L.; Fang W.] Department of Chemistry, Central China Normal University, 430070 Wuhan, China
通讯机构：
[Lu, GH] C;CENT CHINA NORMAL UNIV, DEPT CHEM, WUHAN 430070, PEOPLES R CHINA.
摘要：
A new polarographic method is described for the estimation of selenium in tea leaves. Copper with selenium can produce intermetallic Cu-Se compound in acetic acid-EDTA solution. The intermetallic Cu-Se compound yields a well-defined high sensitivity polarographic wave at a potential of about -0.7 V (vs SCE). Under optimum conditions, the wave height is proportional to the concentration of selenium (IV) in the range of 0.04-0.4 μg/ml. The method has been used to determine selenium in tea leaves and results obtained agreed favourably with an atomic absorption method.
期刊：
Chemical Physics Letters,1995年247(4-6):401-407 ISSN：0009-2614
通讯作者：
Zhan, C.-G.
作者机构：
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN.;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.;[Iwata, S] Institute for Molecular Science, Myodaiji, Okazaki, 444, Japan;[Zhan, CG] Institute for Molecular Science, Myodaiji, Okazaki, 444, Japan, Department of Chemistry, Central China Normal University, Wuhan, 430070, China
通讯机构：
[Zhan, C.-G.] I;Institute for Molecular Science, Myodaiji, Okazaki, 444, Japan
作者机构：
CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.;NANJING UNIV,DEPT CHEM,NANJING 210093,PEOPLES R CHINA.
关键词：
FLAVONE;CROWN ETHER;SYNTHESIS
摘要：
<正> Flavones are main components of natural occurring flavonoils. It is well documented in the literatures that flavones are known to exhibit a wide variety of biological and pharmaceutical activities. Many of them have been used therapentically for the treatments of symptoms of chronic venous insufficiency, of varicose veins, of conditions and of diabetic retinopathy, etc.. Some flavones have
作者机构：
UNIV NOTRE DAME,RADIAT LAB,NOTRE DAME,IN 46556.;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.;[WAN, J] Department of Chemistry, Central China Normal University, Wuhan, The People's Republic of China;[ZHAN, CG] Department of Chemistry, Central China Normal University, Wuhan, The People's Republic of China<&wdkj&>Radiation Laboratory, University of Notre Dame, Notre Dame, USA
关键词：
NMR;Nuclear spin coupling constant;Maximum bond order hybrid orbital;Phosphorus-carbon coupling;Net atomic charge
摘要：
The novel generalized correlation of the nuclear spin-spin coupling constants with the atomic hybrids and net charges is employed to give a new relationship for calculating the directly bonded phosphorus-carbon coupling constants by use of the maximum bond order hybrid orbital procedure together with the extended Huckel molecular orbital calculation. The calculated coupling constants of phosphorus-carbon are all in good agreement with the experimental data, which shows that the new relationship obtained in the present paper is quite satisfactory for calculation of the phosphorus-carbon coupling constants.
期刊：
Magnetic Resonance in Chemistry,1995年33(4):249-251 ISSN：0749-1581
通讯作者：
Zhan, C.‐G.
作者机构：
CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.;HUBEI NORMAL UNIV,DEPT CHEM,HUANGSHI 435002,PEOPLES R CHINA.;UNIV NOTRE DAME,RADIAT LAB,NOTRE DAME,IN 46556.
通讯机构：
Department of Chemistry, Central China Normal University, China
关键词：
NMR;NUCLEAR SPIN COUPLING CONSTANTS;CARBON-NITROGEN COUPLING;MAXIMUM BOND ORDER HYBRID ORBITAL;NET ATOMIC CHARGE
期刊：
Computational and Theoretical Chemistry,1995年357(1-2):9-18 ISSN：2210-271X
作者机构：
UNIV NOTRE DAME, RADIAT LAB, NOTRE DAME, IN 46556 USA.;UNIV NOTRE DAME, DEPT CHEM & BIOCHEM, NOTRE DAME, IN 46556 USA.;CENT CHINA NORMAL UNIV, DEPT CHEM, WUHAN 430070, PEOPLES R CHINA.;CENT CHINA NORMAL UNIV, INST ORGAN CHEM, WUHAN 430070, PEOPLES R CHINA.
摘要：
The geometrical and electronic structures of the recently synthesized dicoordinated phosphenium cations featuring a S-P-N bond and their corresponding three-coordinated chlorophosphine precursors are investigated theoretically by using the MNDO method, The calculated results show that the chemical bonds in the dicoordinated phosphenium cations are different from those in the corresponding three-coordinated phosphorus systems: in the former the conjugated systems containing the phosphorus atom are formed, which results in many special characteristics. To elucidate the P-31 NMR chemical shifts of the dicoordinated phosphenium cations, a simple relationship, which includes a term containing not only the net atomic charge at phosphorus, but also the net atomic charges at nitrogen and sulfur, is introduced in this paper. It is shown that the relationship is quite satisfactory for predicting the P-31 NMR chemical shifts of this class of phosphenium cation. Finally, the reliability of the results obtained from the MNDO calculations is tested and compared with the results obtained from ab initio RHF calculations with a 6-31G** basis set.
期刊：
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS,1995年102(1-4):59-63 ISSN：1042-6507
通讯作者：
Ding, MW
作者机构：
[Wu, TJ; Xiao, WJ; Huang, WF; Shi, DQ; Ding, MW] CENT CHINA NORMAL UNIV,CTR ANAL & TESTING,WUHAN 430070,PEOPLES R CHINA.;[Ding, MW] CENT CHINA NORMAL UNIV,INST ORGAN SYNTH,WUHAN 430070,PEOPLES R CHINA.
通讯机构：
[Ding, MW] C;CENT CHINA NORMAL UNIV,INST ORGAN SYNTH,WUHAN 430070,PEOPLES R CHINA.
期刊：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,1995年51(10):1665-1669 ISSN：1386-1425
通讯作者：
Zhan, C.-G.
作者机构：
UNIV NOTRE DAME,RADIAT LAB,NOTRE DAME,IN 46556;UNIV NOTRE DAME,DEPT BIOCHEM,NOTRE DAME,IN 46556;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA
摘要：
A novel, generalized correlation of the characteristic stretching frequencies with the atomic hybrids and net charges is employed to give a new, explicit relationship for calculating the P=S stretching frequencies by the use of the maximum bond order hybrid orbital procedure together with the extended Huckel molecular orbital calculation. The calculated numerical results show that the new relationship obtained in the present paper is quite satisfactory for the calculation of the characteristic P=S stretching frequencies for organophosphorus compounds.
作者机构：
HUAZHONG UNIV SCI & TECHNOL,WUHAN 430074,PEOPLES R CHINA.;UNIV PARIS 07,CNRS,ITODYS,URA 34,F-75005 PARIS,FRANCE.;UNIV PARIS 07,CHIM PHYS LAB,F-75005 PARIS,FRANCE.;[LIAO, Z] CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.
通讯机构：
[LIAO, Z] C;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.
摘要：
The ligand, ortho-bis[N,N-bis(2’-benzoimidazolyl methyl) amino]-trans-cyclohexane (CTB), is prepared by condensation of ortho-phenylene diamine and ortho-diamino-transcyclohexane-N,N,N’,N’-tetraacetic acid. The ligand reacted respectively with appropriate copper(1) salts to give binuclear Cu(1) coordination compounds, which have a general formula Cu<sub>2<sub/>(CTB)X<sub>2<sub/> (X=CIO<sub>4<sub/><sup>-<sup/>, Сl<sup>-<sup/> and BF<sub>4<sub/><sup>-<sup/>). The complex ion [Cu<sub>2<sub/>(CTB)]<sup>2+<sup/> in dimethyl formamide (DMF) take up oxygen in a 1:1 molar ratio when bubbling O<sub>2<sub/> or exposed to air. Moreover, the complexes undergo a quasi-reversible change with bubbling O<sub>2<sub/> and adding ascorbic acid (AA) and oxy-deoxy-cycles can be repeated more than six times. The electronic, fluorescence and ESR spectra of deoxy- and oxy-complexes show a strong resemblance to that o f deoxy- and oxy-hemocyanin (He) respectively. The oxygen adducts have been isolated.
