The transition metal complexes of triaminoguanidine(TAG-M,where M=Cobalt(Co)or Iron(Fe))have been prepared.The catalytic effect of these complexes on the thermolysis of energetic composite based on nitrocellulose and ...The transition metal complexes of triaminoguanidine(TAG-M,where M=Cobalt(Co)or Iron(Fe))have been prepared.The catalytic effect of these complexes on the thermolysis of energetic composite based on nitrocellulose and diethylene glycol dinitrate,has been investigated.Extensive characterization of the resulting energetic composites was carried out using scanning electron microscopy(SEM),X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),and differential scanning calorimetry(DSC).Isoconversional kinetic analysis was performed to determine the Arrhenius parameters associated with the thermolysis of the elaborated energetic formulations.It is found that TAG-M complexes have strong catalytic effect on the thermo-kinetic decomposition of NC/DEGDN by decreasing the apparent activation energy and significantly increased the total heat release.The models that govern the decomposition processes are also studied,and it is revealed that different reaction processes are accomplished by introduction metal complexes of triaminoguanidine.Overall,this study serves as a valuable reference for future research focused on the investigation of catalytic combustion features of solid propellants.展开更多
The simultaneous removal of up to 92% of the surfactant template and chemical implantation of transition metal complexes into mesopores has been successfully achieved by treating as-synthesized pure siliceous MCM-41 w...The simultaneous removal of up to 92% of the surfactant template and chemical implantation of transition metal complexes into mesopores has been successfully achieved by treating as-synthesized pure siliceous MCM-41 with supercritical CO2 modified with CH2Cl2/MeOH mixture, resulting in the formation of functionalized material with uniform pore structure.展开更多
In this study,the electronic transition properties and structural analysis of the metal complexes(Ni(Ⅱ),Co(Ⅱ),Cu(Ⅱ)and Mn(Ⅱ))of three different polymer ligands were performed by using XRF and X-ray diffraction(XRD...In this study,the electronic transition properties and structural analysis of the metal complexes(Ni(Ⅱ),Co(Ⅱ),Cu(Ⅱ)and Mn(Ⅱ))of three different polymer ligands were performed by using XRF and X-ray diffraction(XRD)techniques,respectively.The structural analysis of the polymers and their complexes were performed by XRD technique and some of the polymers were found to be in the face-centred cubic(fcc)structure.In addition,the values of the present K X-ray intensity ratios are significantly greater than the values reported in literature.展开更多
It has been made certain that thio-and oxy-diacetic acid hydrazides are potential anticancer compounds.However,their ability to form complexes with transition metals and the properties of the complexes thus formed hav...It has been made certain that thio-and oxy-diacetic acid hydrazides are potential anticancer compounds.However,their ability to form complexes with transition metals and the properties of the complexes thus formed have not been studied.Employing a new potential anticancer ligand 1,2-bis(thioacetic acid hydrazide)ethane prepared in our lab,along with ligands oxydiacetic hydrazide and 1,2-bis(oxyacetic acid hydrazide) ethane,a series of 11 new first-row transition metal(M=Zn^(2+),Cu^(2+),Co^(2+), Ni^(2+))complexes with each of the above three ligands have been synthesized and characterized by means of elemental analyses,IR,TG and X-ray powder diffraction.展开更多
The asymmetric alkylations of chiral transition metal complexes derived from (+)-camphor and 2-aminomethyl-6-methylpyridine were examined under mild conditions.The formation of the complexes 2 is conductive to the enh...The asymmetric alkylations of chiral transition metal complexes derived from (+)-camphor and 2-aminomethyl-6-methylpyridine were examined under mild conditions.The formation of the complexes 2 is conductive to the enhancement of di- astereoselectivity in the alkylations at room temperature.展开更多
Seven transition metal complexes of Mn<sup>2+</sup>, Ni<sup>2+</sup>, Co<sup>2+</sup>, Cu<sup>2+</sup> and Zn<sup>2+</sup> with 3-aminopyridine (3-APy) as li...Seven transition metal complexes of Mn<sup>2+</sup>, Ni<sup>2+</sup>, Co<sup>2+</sup>, Cu<sup>2+</sup> and Zn<sup>2+</sup> with 3-aminopyridine (3-APy) as ligand have been synthesized, characterized by different techniques and their antibacterial activities were studied. Molecular modeling calculations were performed using DMOL<sup>3</sup> program in materials studio package which is designed for the realization of large scale density functional theory calculation (DFT). The quantum mechanical and chemical reactivity parameters such as chemical hardness, chemical potential, electronegativity, electrophilicity index and Homo-Lumo energy gap were obtained theoretically and were used to understand the biological activity of the prepared compounds. Some complexes were tested for their in-vitro cytotoxic activity in human lung cancer cell lines (A-549 cell line), and structureactivity relationships were established. In general, the coordination to Co<sup>2+</sup> increased the cytotoxicity while the Ni<sup>2+</sup> complexes show reduced cytotoxic activity compared to the metal-free 3-aminopyridine.展开更多
Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,h...Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,how to extract the underlying electronicstructure information inevitably poses a major challenge to beginners,in particular for systems with S>1/2.In fact,the physical principles of transition metal EPR have long been well-established and since 1970s a series of dedicated voluminous monographs have been published already.Not surprisingly,they are not appropriate stating points for novices to grasp a panorama of the profound theory prior to scrutinizing in-depth references.The present review aims to fill this gap to provide a perspective of transition metal EPR and unveil some peculiar subtleties thereof on the basis of our recent work.展开更多
Some new Schiff bases were synthesized by the condensation of equimolar quantities of salicylaldehyde and 2-amino-5-phenylazo-pyridine or its derivatives in dry benzene(1):Metal complexes of the type ML_2and M'L_3...Some new Schiff bases were synthesized by the condensation of equimolar quantities of salicylaldehyde and 2-amino-5-phenylazo-pyridine or its derivatives in dry benzene(1):Metal complexes of the type ML_2and M'L_3 where M=Cu^(2+),Co^(2+),Ni^(2+),Mn^(2+)Pd^(2+),M'=Fe^(3+)and L=different newly synthesized monobasic Schiff bases were prepared in absolute ethanolic medium(2)and characterized by elementary analysis,conductance measurements,infrared spectra,electronic spectra,magnetic moments studies.展开更多
Transition metal complexes of meso-tetra(4-myristyloxyphenyl)porphyrin TMPPM [M =Mn, Fe, Co, Ni, Cu, Zn; TMPP=mesotetra(4-myristyloxyphenyl)porphyrin] have been synthesized and characterized by means of elemental an...Transition metal complexes of meso-tetra(4-myristyloxyphenyl)porphyrin TMPPM [M =Mn, Fe, Co, Ni, Cu, Zn; TMPP=mesotetra(4-myristyloxyphenyl)porphyrin] have been synthesized and characterized by means of elemental analyses, UV-Vis spectra, infrared photoacoustic spectra, 1H NMR spectra, molar conductance and differential scanning calorimetry(DSC). The ligand and the Zn complex show liquid crystalline behavior. According to the DSC thermogram of the Zn complex, it exhibits a lower phase transition temperature -7.453 ℃ and a wide mesophase temperature span, 77 ℃.展开更多
<div style="text-align:justify;"> <span style="font-family:Verdana;">The aim of this work is to synthesize, characterize and evaluate the biological activity of 2-acetyl and 2-formyl-3-...<div style="text-align:justify;"> <span style="font-family:Verdana;">The aim of this work is to synthesize, characterize and evaluate the biological activity of 2-acetyl and 2-formyl-3-amino-1,4-naphthoquinone (L<span style="white-space:nowrap;"><sup>1</sup></span> - L<span style="white-space:nowrap;"><sup>2</sup></span>) and their metal-Co(II), Ni(II) and Cu(II) chelates. The newly chelates were characterized by elemental analysis, IR, mass and <span style="white-space:nowrap;"><sup>1</sup></span>HNMR spectra, thermogravimetric analysis (TGA) and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (<span style="white-space:nowrap;"><i>Staphylococcus aureus, Bacillus subtilis and Escherichia coli</i></span>) and fungi (<span style="white-space:nowrap;"><i>Candida albicans</i></span>). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species.</span> </div>展开更多
Charge transport through single molecular neutral mono- and di-cobalt（Ⅱ） complexes with re-conjugated macromolecular wire was investigated. Scanning tunnelling spectroscopy （STS） studies revealed that the mono-co...Charge transport through single molecular neutral mono- and di-cobalt（Ⅱ） complexes with re-conjugated macromolecular wire was investigated. Scanning tunnelling spectroscopy （STS） studies revealed that the mono-cobalt（Ⅱ） complex showed a pronounced rectifying effect with a large rectification ratio and finely featured NDR peaks, while the di-cobalt（Ⅱ） complex showed a relatively symmetric electron transport without clear NDR peaks. The results are explained based on the dipolar and electronic effects.展开更多
The title complex M (mnt) (phen), M=Fe11, Co11. Ni11, Cu11. Zn11. was respectivelysynthesized by reaction of disodium maleionitriledithiolate (Na2 (mnt) ) with corresponding metalcomplex M (phen) Cl2. Charge transfer ...The title complex M (mnt) (phen), M=Fe11, Co11. Ni11, Cu11. Zn11. was respectivelysynthesized by reaction of disodium maleionitriledithiolate (Na2 (mnt) ) with corresponding metalcomplex M (phen) Cl2. Charge transfer transitions in the absorption and emission spectra have beenstuded.展开更多
Several new transition metal complexes using Schiff base containing pyridine and amide moieties (N, N'-bis(- salicylaliminoethyl)-2, 6-pyridinedicarboxylic amide, H4L) as the ligand have been prepared. Their compo...Several new transition metal complexes using Schiff base containing pyridine and amide moieties (N, N'-bis(- salicylaliminoethyl)-2, 6-pyridinedicarboxylic amide, H4L) as the ligand have been prepared. Their compositions and structures are corroborated by elemental analysis, IR, UV, 1H NMR, DTA-TG and molar conductivity data. Their anti-bacterial activities have been studied by microcalorimetry. The result shows that the ligand and all com-plexes are potential anti-bacteria reagent and their inhibitory capacities are concentration-depended. The Mn com-plex has the strongest inhibitory capacity.展开更多
The electrochemical properties of eight new divalent transition metal benzenesulphonate complexes with 1,10-phenanthroline in different solvents and supporting electrolytes were investigated by means of cyclic voltamm...The electrochemical properties of eight new divalent transition metal benzenesulphonate complexes with 1,10-phenanthroline in different solvents and supporting electrolytes were investigated by means of cyclic voltammetry(CV). Based on the CV data the influences of various coordination modes on the electrochemical behavior of the complexes were discussed. The diffusion coefficient D c and rate constant k s of those complexes in DMF systems were estimated according to CV and the results show that these processes were all quasi-reversible.展开更多
On the basis of the first paper’s theoretical derivations and concrete instance calculations of the energies of the d orbitals for a low spin ( S =1/2) nd 5(t 2 5, 2T 2)(n =3, 4, 5) system, the ma...On the basis of the first paper’s theoretical derivations and concrete instance calculations of the energies of the d orbitals for a low spin ( S =1/2) nd 5(t 2 5, 2T 2)(n =3, 4, 5) system, the major results reported in this paper contain the following two respects: explicit relationships between the coefficients of the real and complex Kramers doublets have been derived by using two types of the expressions of the principal components of the g tensors in real and complex orbital representations obtained in the first paper; the use of these relationships of the real and complex orbital coefficients has carried out a series of mathematical demonstrations on the agreement of the real and complex orbital methods .展开更多
The synthesis and characterization are reported for a series of bi- and trinuclear complexes of the first transition metal ions with PBDETA, the newly syn thesized polydentate ligand. The electron transition energy in...The synthesis and characterization are reported for a series of bi- and trinuclear complexes of the first transition metal ions with PBDETA, the newly syn thesized polydentate ligand. The electron transition energy in binuclear compound is stronger than that in trinuclear. There is a weak antiferromagnetic exchange interaction in tricopper and trimanganese.展开更多
Density functional theory （DFT） approach has been applied for the analysis of the bond between the [（H20）2] and the [M（gly）2] fragments in a series of trans and cis [M（gly）2[（H20）2] complexes. For comparativ...Density functional theory （DFT） approach has been applied for the analysis of the bond between the [（H20）2] and the [M（gly）2] fragments in a series of trans and cis [M（gly）2[（H20）2] complexes. For comparative purpose, both relativistic and non-relativistic calculations have been performed. The nature of the interaction between the [（H20）2] and [M（gly）2] fragments was investigated using energy decomposition analysis, Hirshfeld atomic charge variation, molecular orbital considerations and bond order decomposition analysis, respectively. Results reveal that the [（H20）：]-[M（gly）2] interaction lies from the hydrogen bridge interaction between these fragments. The strength of the bonding increases in the order Ni2＋ 〉 Pd2＋ 〉 Pt2＋ while the relativistic correction tends to strengthen the [（H2O）2---[M（gly）2] bond in the order Ni 〈 Pd 〈 Pt.展开更多
New series of Ag, Cd(II), Ce(III), Co(II), Cr(III), Fe(III), Ni(II) and Pb(II) complexes with (E)-N-(4-(2- hydroxybenzylideneamino) phenylsulfonyl) {S.S} have been synthesized. These compounds have been characterized ...New series of Ag, Cd(II), Ce(III), Co(II), Cr(III), Fe(III), Ni(II) and Pb(II) complexes with (E)-N-(4-(2- hydroxybenzylideneamino) phenylsulfonyl) {S.S} have been synthesized. These compounds have been characterized by different physico-chemical techniques like, melting point, elemental analysis, FT-IR, UV spectroscopy, <sup>1</sup>H NMR spectroscopy, conductance measurements, magnetic susceptibility and mass spectral analysis. The metal ions concentrations have been determined using inductively coupled plasma mass spectrometry (ICP-MS). Spectroscopic studies suggest coordination most of complexes in a regular octahedral arrangement in 2L:1M molar ratio by two N azomethine and two OH phenolic from Schiff base {S.S} in the form of [ML<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], M metal, L ligand {S.S}. Complexes have been screened for their antibacterial {Gram negative bacteria (Escherichia coli and Pseudomonas aeruginosa)}, {Gram positive bacteria (Bacillus subtilis and Sterptococcus pneumoniae)} and antifungal (Aspergillus fumigates and Candida albicans) showing promising antimicrobial biological activity.展开更多
Five new solid complexes were synthesized about transition metals with Schiff base（ L, C18H23NO2 ） derived from adamantaneamine and o-vanillin, and characterized by elemental analysis, molar conductance, infrared sp...Five new solid complexes were synthesized about transition metals with Schiff base（ L, C18H23NO2 ） derived from adamantaneamine and o-vanillin, and characterized by elemental analysis, molar conductance, infrared spectra, UV-vis spectra, thermal analysis. Their chemical formula are [ML2]（ClO4）2 （ M= Mn, Co, Ni, Cu, Zn）, and the coordination numbers are four, The antibacterial activity of Schiff base ligand and its complexes was studied.展开更多
Binuclear transition metal carbonyl clusters serve as the simplest models in understand- ing metal-metal and ligand bonding that are important organometallic chemistry catalysis. Binuclear first row transition metal c...Binuclear transition metal carbonyl clusters serve as the simplest models in understand- ing metal-metal and ligand bonding that are important organometallic chemistry catalysis. Binuclear first row transition metal carbonyl ions are produced via a pulsed laser vaporiza- tion/supersonic expansion cluster ion source in the gas phase. These ions are studied by mass-selected infrared photodissociation spectroscopy in the carbonyl stretching frequency region. Density functional theory calculations have been performed on the geometric struc- tures and vibrational spectra of the carbonyl ions. Their geometric and electronic structures are determined by comparison of the experimental IR spectra with the simulated spectra. The structure and the metM-metal and metal-CO bonding of both saturated and unsaturated homonuclear as well as heteronuclear carbonyl cluster cations and anions are discussed.展开更多
文摘The transition metal complexes of triaminoguanidine(TAG-M,where M=Cobalt(Co)or Iron(Fe))have been prepared.The catalytic effect of these complexes on the thermolysis of energetic composite based on nitrocellulose and diethylene glycol dinitrate,has been investigated.Extensive characterization of the resulting energetic composites was carried out using scanning electron microscopy(SEM),X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),and differential scanning calorimetry(DSC).Isoconversional kinetic analysis was performed to determine the Arrhenius parameters associated with the thermolysis of the elaborated energetic formulations.It is found that TAG-M complexes have strong catalytic effect on the thermo-kinetic decomposition of NC/DEGDN by decreasing the apparent activation energy and significantly increased the total heat release.The models that govern the decomposition processes are also studied,and it is revealed that different reaction processes are accomplished by introduction metal complexes of triaminoguanidine.Overall,this study serves as a valuable reference for future research focused on the investigation of catalytic combustion features of solid propellants.
文摘The simultaneous removal of up to 92% of the surfactant template and chemical implantation of transition metal complexes into mesopores has been successfully achieved by treating as-synthesized pure siliceous MCM-41 with supercritical CO2 modified with CH2Cl2/MeOH mixture, resulting in the formation of functionalized material with uniform pore structure.
基金Scientific Research Fund of Kahramanmaras Sutcu Imam University,Turkey(2012/3-7YLS)
文摘In this study,the electronic transition properties and structural analysis of the metal complexes(Ni(Ⅱ),Co(Ⅱ),Cu(Ⅱ)and Mn(Ⅱ))of three different polymer ligands were performed by using XRF and X-ray diffraction(XRD)techniques,respectively.The structural analysis of the polymers and their complexes were performed by XRD technique and some of the polymers were found to be in the face-centred cubic(fcc)structure.In addition,the values of the present K X-ray intensity ratios are significantly greater than the values reported in literature.
文摘It has been made certain that thio-and oxy-diacetic acid hydrazides are potential anticancer compounds.However,their ability to form complexes with transition metals and the properties of the complexes thus formed have not been studied.Employing a new potential anticancer ligand 1,2-bis(thioacetic acid hydrazide)ethane prepared in our lab,along with ligands oxydiacetic hydrazide and 1,2-bis(oxyacetic acid hydrazide) ethane,a series of 11 new first-row transition metal(M=Zn^(2+),Cu^(2+),Co^(2+), Ni^(2+))complexes with each of the above three ligands have been synthesized and characterized by means of elemental analyses,IR,TG and X-ray powder diffraction.
基金This work was supported by the National Natural Science Foundation of China.
文摘The asymmetric alkylations of chiral transition metal complexes derived from (+)-camphor and 2-aminomethyl-6-methylpyridine were examined under mild conditions.The formation of the complexes 2 is conductive to the enhancement of di- astereoselectivity in the alkylations at room temperature.
文摘Seven transition metal complexes of Mn<sup>2+</sup>, Ni<sup>2+</sup>, Co<sup>2+</sup>, Cu<sup>2+</sup> and Zn<sup>2+</sup> with 3-aminopyridine (3-APy) as ligand have been synthesized, characterized by different techniques and their antibacterial activities were studied. Molecular modeling calculations were performed using DMOL<sup>3</sup> program in materials studio package which is designed for the realization of large scale density functional theory calculation (DFT). The quantum mechanical and chemical reactivity parameters such as chemical hardness, chemical potential, electronegativity, electrophilicity index and Homo-Lumo energy gap were obtained theoretically and were used to understand the biological activity of the prepared compounds. Some complexes were tested for their in-vitro cytotoxic activity in human lung cancer cell lines (A-549 cell line), and structureactivity relationships were established. In general, the coordination to Co<sup>2+</sup> increased the cytotoxicity while the Ni<sup>2+</sup> complexes show reduced cytotoxic activity compared to the metal-free 3-aminopyridine.
基金the financial support from Chinese Academy of Sciences,National Science Foundation of China(92161204)Max-Planck Society。
文摘Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,how to extract the underlying electronicstructure information inevitably poses a major challenge to beginners,in particular for systems with S>1/2.In fact,the physical principles of transition metal EPR have long been well-established and since 1970s a series of dedicated voluminous monographs have been published already.Not surprisingly,they are not appropriate stating points for novices to grasp a panorama of the profound theory prior to scrutinizing in-depth references.The present review aims to fill this gap to provide a perspective of transition metal EPR and unveil some peculiar subtleties thereof on the basis of our recent work.
文摘Some new Schiff bases were synthesized by the condensation of equimolar quantities of salicylaldehyde and 2-amino-5-phenylazo-pyridine or its derivatives in dry benzene(1):Metal complexes of the type ML_2and M'L_3 where M=Cu^(2+),Co^(2+),Ni^(2+),Mn^(2+)Pd^(2+),M'=Fe^(3+)and L=different newly synthesized monobasic Schiff bases were prepared in absolute ethanolic medium(2)and characterized by elementary analysis,conductance measurements,infrared spectra,electronic spectra,magnetic moments studies.
文摘Transition metal complexes of meso-tetra(4-myristyloxyphenyl)porphyrin TMPPM [M =Mn, Fe, Co, Ni, Cu, Zn; TMPP=mesotetra(4-myristyloxyphenyl)porphyrin] have been synthesized and characterized by means of elemental analyses, UV-Vis spectra, infrared photoacoustic spectra, 1H NMR spectra, molar conductance and differential scanning calorimetry(DSC). The ligand and the Zn complex show liquid crystalline behavior. According to the DSC thermogram of the Zn complex, it exhibits a lower phase transition temperature -7.453 ℃ and a wide mesophase temperature span, 77 ℃.
文摘<div style="text-align:justify;"> <span style="font-family:Verdana;">The aim of this work is to synthesize, characterize and evaluate the biological activity of 2-acetyl and 2-formyl-3-amino-1,4-naphthoquinone (L<span style="white-space:nowrap;"><sup>1</sup></span> - L<span style="white-space:nowrap;"><sup>2</sup></span>) and their metal-Co(II), Ni(II) and Cu(II) chelates. The newly chelates were characterized by elemental analysis, IR, mass and <span style="white-space:nowrap;"><sup>1</sup></span>HNMR spectra, thermogravimetric analysis (TGA) and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (<span style="white-space:nowrap;"><i>Staphylococcus aureus, Bacillus subtilis and Escherichia coli</i></span>) and fungi (<span style="white-space:nowrap;"><i>Candida albicans</i></span>). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species.</span> </div>
基金the financial supports of the National Science Foundationthe NSF MRSEC program at the University of Chicago
文摘Charge transport through single molecular neutral mono- and di-cobalt（Ⅱ） complexes with re-conjugated macromolecular wire was investigated. Scanning tunnelling spectroscopy （STS） studies revealed that the mono-cobalt（Ⅱ） complex showed a pronounced rectifying effect with a large rectification ratio and finely featured NDR peaks, while the di-cobalt（Ⅱ） complex showed a relatively symmetric electron transport without clear NDR peaks. The results are explained based on the dipolar and electronic effects.
文摘The title complex M (mnt) (phen), M=Fe11, Co11. Ni11, Cu11. Zn11. was respectivelysynthesized by reaction of disodium maleionitriledithiolate (Na2 (mnt) ) with corresponding metalcomplex M (phen) Cl2. Charge transfer transitions in the absorption and emission spectra have beenstuded.
基金Project supported by the National Natural Science Foundation of China (No. 20072029).
文摘Several new transition metal complexes using Schiff base containing pyridine and amide moieties (N, N'-bis(- salicylaliminoethyl)-2, 6-pyridinedicarboxylic amide, H4L) as the ligand have been prepared. Their compositions and structures are corroborated by elemental analysis, IR, UV, 1H NMR, DTA-TG and molar conductivity data. Their anti-bacterial activities have been studied by microcalorimetry. The result shows that the ligand and all com-plexes are potential anti-bacteria reagent and their inhibitory capacities are concentration-depended. The Mn com-plex has the strongest inhibitory capacity.
文摘The electrochemical properties of eight new divalent transition metal benzenesulphonate complexes with 1,10-phenanthroline in different solvents and supporting electrolytes were investigated by means of cyclic voltammetry(CV). Based on the CV data the influences of various coordination modes on the electrochemical behavior of the complexes were discussed. The diffusion coefficient D c and rate constant k s of those complexes in DMF systems were estimated according to CV and the results show that these processes were all quasi-reversible.
文摘On the basis of the first paper’s theoretical derivations and concrete instance calculations of the energies of the d orbitals for a low spin ( S =1/2) nd 5(t 2 5, 2T 2)(n =3, 4, 5) system, the major results reported in this paper contain the following two respects: explicit relationships between the coefficients of the real and complex Kramers doublets have been derived by using two types of the expressions of the principal components of the g tensors in real and complex orbital representations obtained in the first paper; the use of these relationships of the real and complex orbital coefficients has carried out a series of mathematical demonstrations on the agreement of the real and complex orbital methods .
文摘The synthesis and characterization are reported for a series of bi- and trinuclear complexes of the first transition metal ions with PBDETA, the newly syn thesized polydentate ligand. The electron transition energy in binuclear compound is stronger than that in trinuclear. There is a weak antiferromagnetic exchange interaction in tricopper and trimanganese.
文摘Density functional theory （DFT） approach has been applied for the analysis of the bond between the [（H20）2] and the [M（gly）2] fragments in a series of trans and cis [M（gly）2[（H20）2] complexes. For comparative purpose, both relativistic and non-relativistic calculations have been performed. The nature of the interaction between the [（H20）2] and [M（gly）2] fragments was investigated using energy decomposition analysis, Hirshfeld atomic charge variation, molecular orbital considerations and bond order decomposition analysis, respectively. Results reveal that the [（H20）：]-[M（gly）2] interaction lies from the hydrogen bridge interaction between these fragments. The strength of the bonding increases in the order Ni2＋ 〉 Pd2＋ 〉 Pt2＋ while the relativistic correction tends to strengthen the [（H2O）2---[M（gly）2] bond in the order Ni 〈 Pd 〈 Pt.
文摘New series of Ag, Cd(II), Ce(III), Co(II), Cr(III), Fe(III), Ni(II) and Pb(II) complexes with (E)-N-(4-(2- hydroxybenzylideneamino) phenylsulfonyl) {S.S} have been synthesized. These compounds have been characterized by different physico-chemical techniques like, melting point, elemental analysis, FT-IR, UV spectroscopy, <sup>1</sup>H NMR spectroscopy, conductance measurements, magnetic susceptibility and mass spectral analysis. The metal ions concentrations have been determined using inductively coupled plasma mass spectrometry (ICP-MS). Spectroscopic studies suggest coordination most of complexes in a regular octahedral arrangement in 2L:1M molar ratio by two N azomethine and two OH phenolic from Schiff base {S.S} in the form of [ML<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], M metal, L ligand {S.S}. Complexes have been screened for their antibacterial {Gram negative bacteria (Escherichia coli and Pseudomonas aeruginosa)}, {Gram positive bacteria (Bacillus subtilis and Sterptococcus pneumoniae)} and antifungal (Aspergillus fumigates and Candida albicans) showing promising antimicrobial biological activity.
文摘Five new solid complexes were synthesized about transition metals with Schiff base（ L, C18H23NO2 ） derived from adamantaneamine and o-vanillin, and characterized by elemental analysis, molar conductance, infrared spectra, UV-vis spectra, thermal analysis. Their chemical formula are [ML2]（ClO4）2 （ M= Mn, Co, Ni, Cu, Zn）, and the coordination numbers are four, The antibacterial activity of Schiff base ligand and its complexes was studied.
基金supported by the National Natural Science Foundation of China(No.21688102,No.21573047and No.21273045)
文摘Binuclear transition metal carbonyl clusters serve as the simplest models in understand- ing metal-metal and ligand bonding that are important organometallic chemistry catalysis. Binuclear first row transition metal carbonyl ions are produced via a pulsed laser vaporiza- tion/supersonic expansion cluster ion source in the gas phase. These ions are studied by mass-selected infrared photodissociation spectroscopy in the carbonyl stretching frequency region. Density functional theory calculations have been performed on the geometric struc- tures and vibrational spectra of the carbonyl ions. Their geometric and electronic structures are determined by comparison of the experimental IR spectra with the simulated spectra. The structure and the metM-metal and metal-CO bonding of both saturated and unsaturated homonuclear as well as heteronuclear carbonyl cluster cations and anions are discussed.
